SCHEMBL29131709

SCHEMBL29131709

C=C(Oc1ccc(Cl)cc1C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 3/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7932790 0.86 TSHR (0.57) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL29472205 0.83 TDP1 (0.53) TSHRMRGPRX4ALDH1A1LMNASMN1; SMN2
SCHEMBL11178796 0.83 TDP1 (0.53) TSHRMRGPRX4ALDH1A1LMNASMN1; SMN2
SCHEMBL6273604 0.82 TSHR (0.60) TSHRHTR2AHTR2CHTR2BCYP1A2
Hydrochloric Acid SCHEMBL11854026 0.81 TSHR (0.58) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL132336 0.79 TSHR (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL11716516 0.79 TSHR (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL3834865 0.78 CYP1A2 (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL9799902 0.78 CYP1A2 (0.56) TSHRHTR2AHTR2CHTR2BCYP1A2
SCHEMBL5712913 0.77 TSHR (0.54) TSHRHTR2AHTR2CHTR2BCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813473-B Prepolymer, preparation method, michael addition coating with root inhibition effect and waterproof coating 佛山市科顺建筑材料有限公司 2023-12-08 CN disclosed
CN-116813473-A Prepolymer, preparation method, michael addition coating with root inhibition effect and waterproof coating 佛山市科顺建筑材料有限公司 2023-09-29 CN disclosed