SCHEMBL9876460

SCHEMBL9876460

CCCCc1ccc2cc(C(C)C)ccc(OC)c1-2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
ALOX5 P09917 5/20 0.38
ELANE P08246 2/20 0.38
CTSG P08311 1/20 0.38
CASR P41180 2/20 0.38
PTGS2 P35354 4/20 0.38
GLP1R P43220 1/20 0.37
ERN1 O75460 1/20 0.36
CTSA P10619 1/20 0.35

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
SCHEMBL9875198 0.95 HTR2A (0.46) HTR2AALOX5ELANEPTGS2
SCHEMBL9876459 0.95 HTR2A (0.46) HTR2AALOX5ELANEPTGS2
SCHEMBL9876658 0.95 HTR2A (0.46) HTR2AALOX5ELANEPTGS2
SCHEMBL9875962 0.85 HTR2A (0.47) HTR2AALOX5ELANECASRPTGS2
SCHEMBL9876439 0.85 HTR2A (0.47) HTR2AALOX5ELANECASRPTGS2
SCHEMBL9876456 0.85 HTR2A (0.47) HTR2AALOX5ELANECASRPTGS2
SCHEMBL9876488 0.83 CNR2 (0.39) HTR2ACASR
SCHEMBL9875568 0.80 PTPN11 (0.38) CASR
SCHEMBL9875633 0.80 GCGR (0.32) HTR2AALOX5CASRPTGS2
SCHEMBL9875635 0.79 CASR (0.35) HTR2ACASR

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