SCHEMBL9752271

SCHEMBL9752271

CCCCCCCCCCc1ccc(-c2ccc(OCCCCCC(C)CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
RARB P10826 5/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
S1PR1 P21453 3/20 0.45
NR5A1 Q13285 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC2A1 P11166 1/20 0.45

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
SCHEMBL10481197 1.00 CYP3A4 (0.52) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10355270 1.00 CYP3A4 (0.52) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10481180 1.00 CYP3A4 (0.52) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL9229935 0.96 CYP3A4 (0.53) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10746232 0.96 CYP3A4 (0.50) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10746220 0.96 CYP3A4 (0.50) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL9227505 0.94 CYP3A4 (0.51) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10709053 0.92 RARB (0.50) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10748461 0.92 RARB (0.50) CYP3A4MEN1USP2ALDH1A1LMNA
SCHEMBL10748452 0.92 RARB (0.50) CYP3A4MEN1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176443-A None JP disclosed
JP-H03176443-A BIPHENYL DERIVATIVE AND LIQUID CRYSTAL COMPOSITION DAINIPPON INK & CHEM INC 1991-07-31 JP disclosed