SCHEMBL8375640

SCHEMBL8375640

C=CCC(C(=O)OC)C1c2ccccc2COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.35
TBXAS1 P24557 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HRH1 P35367 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD17B3 P37058 1/20 0.34
ROCK2 O75116 1/20 0.33

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
SCHEMBL8378073 0.77 HTR2A (0.36) TBXA2RHTR2AHTR2CHRH1
SCHEMBL8378076 0.76 HTR2A (0.36) TBXA2RHTR2AHTR2CHRH1
SCHEMBL8374387 0.75 HTR2A (0.36) HTR2AHTR2CHRH1ALDH1A1
SCHEMBL22877253 0.72 CYP3A4 (0.37) L3MBTL1KDM4EALDH1A1GLAGAA
SCHEMBL26429444 0.70 ALDH1A1 (0.41) L3MBTL1KDM4EALDH1A1GLAGAA
SCHEMBL26704687 0.70 MAOB (0.36) KDM4EALDH1A1TSHR
SCHEMBL26704688 0.70 BCHE (0.40) L3MBTL1KDM4EALDH1A1GAAHPGD
SCHEMBL26704971 0.69 ALDH1A1 (0.40) L3MBTL1KDM4EALDH1A1GLAGAA
SCHEMBL26429700 0.69 MAOB (0.35) L3MBTL1ALDH1A1TSHR
SCHEMBL26429694 0.69 BCHE (0.39) L3MBTL1KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733049-B1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORP (US) 1999-03-10 EP disclosed
US-5574173-A INHIBITORS OF TUMOR NECROSIS FACTOR SCHERING CORPORATION (US) 1996-11-12 US disclosed
EP-0733049-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015959-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1995-06-15 WO disclosed