SCHEMBL10702159

SCHEMBL10702159

CCCCCCCCOC1(C(=O)OCC(Cl)C(C)CC)C=CC(c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL11034473 0.88 PPARG (0.40) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL10903892 0.84 PPARG (0.48) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL9852394 0.79 PPARG (0.43) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL10703978 0.79 SLC10A2 (0.35) PPARG
SCHEMBL10703124 0.79 SLC10A2 (0.35) PPARG
SCHEMBL10445787 0.79 MAPT (0.34) PPARGALDH1A1LMNA
SCHEMBL4184936 0.79 PPARG (0.45) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL5828433 0.79 PPARG (0.45) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL9462288 0.79 PPARG (0.45) PPARGTSHRALDH1A1LMNACHRM2
SCHEMBL11363522 0.79 PPARG (0.45) PPARGTSHRALDH1A1LMNACHRM2

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-0296571-A2 Method of producing a liquid crystal optical element IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-12-28 EP disclosed