SCHEMBL11862581

SCHEMBL11862581

CCCCCCC(CCc1ccccc1)CC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.47
▸ F2 P00734 2/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ S1PR2 O95136 2/20 0.45
▸ S1PR1 P21453 2/20 0.45
▸ ALOX5 P09917 2/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ CETP P11597 1/20 0.42

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
SCHEMBL18065683 0.90 F2 (0.54) F10F2PRSS1SMN1; SMN2ALOX5
SCHEMBL7712798 0.89 F2 (0.51) F10F2PRSS1SMN1; SMN2ALOX5
SCHEMBL5075437 0.85 ALDH1A1 (0.52) PRSS1PRSS2PRSS3CNR2ALDH1A1
SCHEMBL30458000 0.85 ALDH1A1 (0.52) PRSS1PRSS2PRSS3CNR2ALDH1A1
SCHEMBL5076609 0.85 ALDH1A1 (0.52) PRSS1PRSS2PRSS3CNR2ALDH1A1
SCHEMBL5076023 0.85 ALDH1A1 (0.52) PRSS1PRSS2PRSS3CNR2ALDH1A1
SCHEMBL5075424 0.85 ALDH1A1 (0.52) PRSS1PRSS2PRSS3CNR2ALDH1A1
SCHEMBL16013721 0.83 TLR4 (0.52) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL5074119 0.83 TLR4 (0.52) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL9385105 0.83 TLR4 (0.52) PRSS1PRSS2PRSS3MAPTALDH1A1

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-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 — — US disclosed
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