SCHEMBL9875633

SCHEMBL9875633

CCCCCc1ccc2cc(C(C)C)ccc(OC(C)OCC)c1-2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.32
HTR2A P28223 1/20 0.32
ALOX5 P09917 5/20 0.32
CASR P41180 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
PTGS2 P35354 3/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL9875198 0.83 HTR2A (0.46) HTR2AALOX5PTGS2SPHK2
SCHEMBL9876459 0.83 HTR2A (0.46) HTR2AALOX5PTGS2SPHK2
SCHEMBL9876658 0.83 HTR2A (0.46) HTR2AALOX5PTGS2SPHK2
SCHEMBL9876488 0.81 CNR2 (0.39) HTR2ACASRMEN1MAPTHTT
SCHEMBL9875635 0.80 CASR (0.35) GCGRHTR2ACASRTSHRMEN1
SCHEMBL9876460 0.80 HTR2A (0.39) HTR2AALOX5CASRPTGS2
SCHEMBL9875981 0.78 HTR2A (0.37) GCGRHTR2AALOX5TSHRMEN1
SCHEMBL9875568 0.77 PTPN11 (0.38) CASRCNR2
SCHEMBL9876439 0.76 HTR2A (0.47) HTR2AALOX5CASRPTGS2TSHR
SCHEMBL9876456 0.76 HTR2A (0.47) HTR2AALOX5CASRPTGS2TSHR

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