SCHEMBL9876459

SCHEMBL9876459

CCCCCCCCCCCCCCCCCCc1ccc2cc(C(C)C)ccc(OC)c1-2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
ALOX5 P09917 8/20 0.45
PTGS2 P35354 5/20 0.45
ELANE P08246 2/20 0.40
PPARA Q07869 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
PTGS1 P23219 1/20 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
SCHEMBL9876658 1.00 HTR2A (0.46) HTR2AALOX5PTGS2ELANEPPARA
SCHEMBL9875198 1.00 HTR2A (0.46) HTR2AALOX5PTGS2ELANEPPARA
SCHEMBL9876460 0.95 HTR2A (0.39) HTR2AALOX5PTGS2ELANE
SCHEMBL9876439 0.91 HTR2A (0.47) HTR2AALOX5PTGS2ELANEPPARA
SCHEMBL9876456 0.91 HTR2A (0.47) HTR2AALOX5PTGS2ELANEPPARA
SCHEMBL9875962 0.91 HTR2A (0.47) HTR2AALOX5PTGS2ELANEPPARA
SCHEMBL9876488 0.88 CNR2 (0.39) HTR2A
SCHEMBL9875568 0.83 PTPN11 (0.38)
SCHEMBL9875633 0.83 GCGR (0.32) HTR2AALOX5PTGS2SPHK2
SCHEMBL9875998 0.82 ALOX5 (0.48) HTR2AALOX5PTGS2ELANEPPARA

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed