SCHEMBL4295864

SCHEMBL4295864

CCC(O)(Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
KCNN4 O15554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5163676 1.00 TSHR (0.46) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL5161709 1.00 TSHR (0.46) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL6860953 0.79 MEN1 (0.54) TSHRSMN1; SMN2HIF1ALMNAHTT
SCHEMBL9317685 0.78 TSHR (0.48) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL7476372 0.78 TSHR (0.48) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL11444310 0.77 TSHR (0.42) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL4634423 0.77 SCN5A (0.47) TSHRL3MBTL1
Hydrochloric Acid SCHEMBL11308929 0.76 TSHR (0.46) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL3046939 0.76 TAAR1 (0.48) TSHRCYP1A2CYP2C19CYP2C9KCNN4
SCHEMBL23781410 0.75 TSHR (0.50) TSHRCYP1A2CYP2C19KCNN4HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110385108-A A kind of chirality covalent organic framework composite membrane and its preparation method and application 中山大学 2019-10-29 CN claimed
CN-104388516-A Preparation of (R)-(+)-3-chloro-1-phenylpropan-1-ol WANG TONGJUN 2015-03-04 CN claimed
JP-4271796-A None JP disclosed
CN-117568296-A P450 hydroxylase mutant and synthetic R-halohydrin thereof 遵义医科大学 2024-02-20 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
CN-110385108-A A kind of chirality covalent organic framework composite membrane and its preparation method and application 中山大学 2019-10-29 CN disclosed
CN-109762080-A A kind of supermolecule chirality porous polymer separating medium and preparation method and application 中山大学 2019-05-17 CN disclosed
CN-108342418-A A method of utilizing carbonyl reductase catalytic production (S) -3- chloro phenylpropanols 浙江海洋大学 2018-07-31 CN disclosed
CN-108342418-A A method of utilizing carbonyl reductase catalytic production (S) -3- chloro phenylpropanols 浙江海洋大学 2018-07-31 CN disclosed
CN-105445384-B The method for separating and detecting of 3 chlorobenzene propyl alcohol optical isomers and its application 广州朗圣药业有限公司 2018-02-02 CN disclosed
CN-105445384-A Separating and detecting method for 3-chloro-1-phenyl-1-propanol optical isomers and applications thereof GUANGZHOU REGENEX CORP 2016-03-30 CN disclosed
US-8956838-B2 Carboxyl esterase polypeptides B.R.A.I.N. (DE) 2015-02-17 US disclosed
US-20090221031-A1 NOVEL GROUP OF ESTERASES FOR THE PRODUCTION OF FINE AND SPECIALITY CHEMICALS B.R.A.I.N. AG (DE) 2009-09-03 US disclosed
EP-1379492-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2002070457-A1 INHIBITOR OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2002-09-12 WO disclosed
EP-0414686-B1 DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES LABORATOIRES LUCIEN (FR) 1993-09-22 EP disclosed
JP-H04271796-A PRODUCTION OF OPTICALLY ACTIVE 3-PHENYL-3-PROPANOL COMPOUNDS ASAHI CHEM IND CO LTD 1992-09-28 JP disclosed
EP-0414686-A1 DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES. LUCIEN LAB (FR) 1991-03-06 EP disclosed
US-4918246-A REDUCING HALOKETONE WITH DIISOPINOCAMPHEYLBORANE ALDRICH CHEMICAL COMPANY, INC. (US) 1990-04-17 US disclosed
WO-1989004819-A1 DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES LABORATOIRES LUCIEN (FR) 1989-06-01 WO disclosed