SCHEMBL8892564

SCHEMBL8892564

CCCCC(C=O)(CC)CCSc1ccccc1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 4/20 0.33
CNR1 P21554 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDR1 Q08345 1/20 0.31
EPHX2 P34913 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
CNR2 P34972 1/20 0.30
GPR18 Q14330 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL6201251 0.89 LMNA (0.35) LMNAHTTCNR1ALDH1A1MAPT
SCHEMBL8893617 0.75 CNR1 (0.34) LMNAHTTCNR1CNR2GPR18
SCHEMBL27510398 0.74 APOBEC3G (0.38) LMNAHTTPTGS2HPGDEPHX2
SCHEMBL6201198 0.74 AR (0.36) LMNAHTTCNR1CNR2GPR18
SCHEMBL8026003 0.73 CTSK (0.40) LMNAALDH1A1SMN1; SMN2EPHX2
SCHEMBL8892569 0.73 L3MBTL1 (0.33) LMNAHTTCNR1CNR2GPR18
SCHEMBL27390274 0.71 MEN1 (0.32) LMNAPTGS2ALDH1A1
SCHEMBL8201722 0.71 ALDH1A1 (0.41) LMNAHTTPTGS2ALDH1A1MAPT
SCHEMBL27393019 0.70 LTB4R (0.37) LMNACNR1ALDH1A1
SCHEMBL6224286 0.68 RAB9A (0.36) PTGS2ALDH1A1HPGDCNR2RAB9A

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
WO-1997033882-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE AND CO. (US) 1997-09-18 WO disclosed