SCHEMBL9345561

SCHEMBL9345561

CCC(C(=O)O)C1CCc2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
CYP19A1 P11511 2/20 0.46
PPARA Q07869 6/20 0.43
PPARG P37231 6/20 0.43
ACHE P22303 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL8298173 0.81 PPARA (0.53) PPARAPPARG
SCHEMBL9348192 0.81 KDM4E (0.52) KDM4ECYP19A1ACHESIGMAR1HTR1A
SCHEMBL10388746 0.80 KDM4E (0.57) KDM4ECYP19A1ACHESIGMAR1HTR1A
SCHEMBL10346131 0.76 KDM4E (0.55) KDM4ECYP19A1ACHESIGMAR1HTR1A
SCHEMBL2139852 0.75 KDM4E (0.49) KDM4ECYP19A1ACHESIGMAR1HTR1A
SCHEMBL2475301 0.74 KDM4E (0.45) KDM4ECYP19A1ACHENPC1RAB9A
SCHEMBL15294423 0.74 KDM4E (0.64) KDM4ECYP19A1ACHESIGMAR1HTR1A
SCHEMBL829965 0.72 PPARA (0.45) PPARAPPARG
SCHEMBL11079067 0.72 ACHE (0.52) KDM4ECYP19A1ACHENPC1RAB9A
SCHEMBL820846 0.72 ACHE (0.42) KDM4ECYP19A1ACHEHTR1APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed