SCHEMBL9736662

SCHEMBL9736662

COCC1(C)Cc2ccc(C(=O)O)cc2C(n2ccccc2=O)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.34
BACE1 P56817 1/20 0.33
TBXA2R P21731 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
OPRD1 P41143 1/20 0.31
HRH1 P35367 1/20 0.30
TSHR P16473 1/20 0.30
PRKG1 Q13976 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
SCHEMBL9197783 0.83 ABCB1 (0.34) DRD3BACE1MEN1KMT2A
SCHEMBL9735367 0.74 ALOX15 (0.38) ALDH1A1KDM4EOPRD1
SCHEMBL9198396 0.73 ABCC9 (0.39) DRD3
SCHEMBL9735028 0.71 ABCC9 (0.37) DRD3BACE1
SCHEMBL9735829 0.70 ADAM10 (0.38) GAA
SCHEMBL9738250 0.68 OPRM1 (0.36) DRD3OPRD1TSHR
SCHEMBL9734831 0.68 ALOX5 (0.37) ALDH1A1KDM4EOPRD1TSHR
SCHEMBL9735247 0.67 ABCC9 (0.34) BACE1ALDH1A1MEN1KMT2A
SCHEMBL9735244 0.64 LMNA (0.36) ALDH1A1KDM4EGAATSHR
SCHEMBL9737531 0.64 ABCC9 (0.40) ALDH1A1KDM4EMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed