SCHEMBL8002103

SCHEMBL8002103

COc1ccc(C=O)cc1C(C)C.O=c1cccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
TSHR P16473 1/20 0.45
TTR P02766 1/20 0.44
FDPS P14324 1/20 0.43
AOX1 Q06278 1/20 0.42
FKBP5 Q13451 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRIM24 O15164 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38

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
SCHEMBL2046004 0.83 ALDH1A1 (0.63) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL8004939 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL13179869 0.72 TTR (0.54) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL5883547 0.71 ALDH1A1 (0.59) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL8035362 0.71 ALDH1A1 (0.63) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL24196783 0.71 TTR (0.63) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL7074229 0.71 TTR (0.55) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL5882232 0.70 ALDH1A3 (0.52) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL475342 0.70 ALDH1A1 (0.61) ALDH1A1TSHRTTRFDPSAOX1
SCHEMBL3952495 0.68 PTGS1 (0.57) ALDH1A1TSHRTTRFDPSAOX1

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
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed