SCHEMBL8633979

SCHEMBL8633979

Cc1cc2c(c(C)c1C)CC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL3592511 0.83 ALDH1A1 (0.32) ALDH1A1MAPTKDM4ETSHR
SCHEMBL658523 0.83 ALDH1A1 (0.32) ALDH1A1MAPTKDM4E
SCHEMBL6130778 0.83 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL8713373 0.82 ALDH1A1 (0.31) ALDH1A1MAPTKDM4ETSHR
SCHEMBL542218 0.81 PDE4D (0.40)
SCHEMBL3613671 0.76 ALDH1A1 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2122056 0.73 PKM (0.38) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL8877823 0.72 ALDH1A1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL29494119 0.72 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL659527 0.72 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10053581-A None JP disclosed
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
JP-H1053581-A PRODUCTION OF 2,3-DIHYDROXYBENZOFURAN ALDEHYDE DERIVATIVE KOREA RES INST OF CHEM TECHNOL 1998-02-24 JP disclosed
US-5631208-A Herbicidal cyclohexane-1,3-dione derivatives and their preparation process KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-05-20 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
WO-1994003443-A1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES AND THEIR PREPARATION PROCESS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-02-17 WO disclosed
CN-1071165-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-04-21 CN disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed