SCHEMBL8449285

SCHEMBL8449285

CCCCCCCCC=CCCCCCCCCOCCNCCOCCCCCCCCC=CCCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.49
▸ PPARA Q07869 2/20 0.48
▸ TRPV1 Q8NER1 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
SCHEMBL8449281 1.00 EPHX2 (0.49) EPHX2PPARATRPV1
SCHEMBL7784997 0.95 EPHX2 (0.45) EPHX2PPARATRPV1
SCHEMBL15616007 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL20030173 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL20030172 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL20030175 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL22022981 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL22814028 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL22022994 0.86 EPHX2 (0.50) EPHX2PPARATRPV1
SCHEMBL14759564 0.86 FAAH (0.50) EPHX2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712435-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION PROCTER & GAMBLE (US) 1997-11-12 — — EP claimed
EP-0712435-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-22 — — EP claimed
WO-1995004802-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION THE PROCTER & GAMBLE COMPANY (US) 1995-02-16 — — WO claimed
EP-0712441-B1 DRYER-ACTIVATED FABRIC CONDITIONING COMPOSITIONS CONTAINING ETHOXYLATED/PROPOXYLATED SUGAR DERIVATIVES PROCTER & GAMBLE (US) 1999-10-20 — — EP disclosed
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