SCHEMBL9168034

SCHEMBL9168034

CCCCCCCCCCCCCCCCCCOc1cc(NC(=O)OCC(C)C)cc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 14/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CNR2 P34972 2/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9170384 0.90 SMN1; SMN2 (0.54) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL9171172 0.88 FAAH (0.56) FAAHCNR2CNR1
SCHEMBL9167683 0.85 FAAH (0.59) FAAHCNR2CNR1
SCHEMBL9164926 0.83 FAAH (0.51) FAAHCNR2CNR1NPC1RAB9A
SCHEMBL9162939 0.82 FAAH (0.53) FAAHALDH1A1CNR2CNR1NPC1
SCHEMBL9166613 0.81 CNR2 (0.53) FAAHCNR2CNR1
SCHEMBL9170373 0.80 FAAH (0.41) FAAHALDH1A1LMNASMN1; SMN2
SCHEMBL9171210 0.78 FAAH (0.46) FAAHCNR2CNR1
SCHEMBL9163164 0.78 MAPT (0.48) FAAHALDH1A1LMNASMN1; SMN2
SCHEMBL9169462 0.78 PLA2G2A (0.41) FAAHALDH1A1LMNASMN1; SMN2

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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