SCHEMBL9852426

SCHEMBL9852426

CCCCCCCCCCOC(=O)C1(O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.50
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10903892 0.85 PPARG (0.48) PPARGTSHRALDH1A1LMNATP53
SCHEMBL8969958 0.84 FAAH (0.50) TSHRLMNATP53POLBNPC1
SCHEMBL4128081 0.82 THRB (0.44) PPARGTSHRALDH1A1TP53CYP3A4
SCHEMBL9680775 0.81 TSHR (0.43) PPARGTSHRALDH1A1LMNATP53
SCHEMBL10449056 0.79 PPARG (0.42) PPARGTSHRALDH1A1LMNATP53
SCHEMBL21224652 0.79 PPARG (0.42) PPARGTSHRALDH1A1LMNATP53
SCHEMBL9462288 0.78 PPARG (0.45) PPARGTSHRALDH1A1LMNATP53
SCHEMBL5828433 0.78 PPARG (0.45) PPARGTSHRALDH1A1LMNATP53
SCHEMBL4184936 0.78 PPARG (0.45) PPARGTSHRALDH1A1LMNATP53
SCHEMBL11363522 0.78 PPARG (0.45) PPARGTSHRALDH1A1LMNATP53

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
EP-0422996-A2 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-04-17 EP disclosed