SCHEMBL9169462

SCHEMBL9169462

CCCCCCCCCCCCCCCCCCOc1cc(NC(=O)OCC(C)C)cc([S+](C)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.41
▸ FAAH O00519 17/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 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
SCHEMBL9417482 0.83 PLA2G2A (0.43) PLA2G2AFAAH
SCHEMBL9163164 0.81 MAPT (0.48) FAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL9170373 0.81 FAAH (0.41) PLA2G2AFAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL9168034 0.78 FAAH (0.49) FAAHSMN1; SMN2ALDH1A1LMNA
SCHEMBL9166795 0.73 PLA2G2A (0.73) PLA2G2AALDH1A1
SCHEMBL9171916 0.72 PLA2G2A (0.56) PLA2G2A
SCHEMBL11668522 0.69 EPHX1 (0.59) SMN1; SMN2ALDH1A1LMNA
SCHEMBL9167882 0.69 TSHR (0.53) PLA2G2ALMNA
SCHEMBL9171172 0.68 FAAH (0.56) PLA2G2AFAAH
SCHEMBL9165439 0.68 PLA2G2A (0.74) PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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