SCHEMBL6898037

SCHEMBL6898037

CCCCCCCCC=CCCCCCCCC(=O)OC(C)(C)C(C)(CN)OC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.43

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 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.43
▸ SOAT1 P35610 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ LPAR1 Q92633 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ TERT O14746 2/20 0.40
▸ GMNN O75496 1/20 0.40

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
SCHEMBL28508425 0.84 FAAH (0.49) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL28516851 0.79 FAAH (0.51) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL7610717 0.79 FAAH (0.50) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL7610709 0.79 FAAH (0.50) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL28513665 0.79 DGKA (0.41) MAPTALDH1A1ENPP2LMNAPOLB
SCHEMBL10582480 0.77 FAAH (0.56) FAAHSOAT1CYP1A2CYP2C19MEN1
Oleamide SCHEMBL28407228 0.77 FAAH (0.74) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL15758444 0.76 FAAH (0.54) FAAHSOAT1CYP1A2CYP2C19MEN1
SCHEMBL28405189 0.76 FAAH (0.48) FAAHSOAT1CYP1A2CYP2C19MEN1
Oleamide SCHEMBL28815283 0.76 FAAH (0.68) FAAHSOAT1CYP1A2CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946699-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2003-10-15 — — EP claimed
US-6677491-B2 FRAGRANCE DELIVERY SYSTEM FOR USE IN LAUNDRY DETERGENT COMPOSITIONS INCLUDING RINSE-ADDED AND DRYER-ADDED FABRIC CONDITIONING COMPOSITIONS WHICH PROVIDES A LONG LASTING ?FRESHNESS? OR ?CLEAN? SCENT TO FABRIC. PROCTER & GAMBLE COMPANY 2004-01-13 — — US disclosed
US-20030032565-A1 Pro-fragrance linear acetals and ketals SIVIK MARK ROBERT (US) 2003-02-13 — — US disclosed
EP-0906395-B1 POLYAMINES HAVING FABRIC APPEARANCE ENHANCEMENT BENEFITS PROCTER & GAMBLE (US) 2002-08-14 — — EP disclosed
EP-0991615-B1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS PROCTER & GAMBLE (US) 2002-08-14 — — EP disclosed
US-6395695-B1 LAUNDRY DETERGENT THE PROCTER & GAMBLE COMPANY 2002-05-28 — — US disclosed
US-6316397-B1 FABRICS FOR AUTOMATIC LAUNDRY DRYERS WITH FRAGRANCES THE PROCTER & GAMBLE CO. 2001-11-13 — — US disclosed
US-6143713-A FOR USE IN AUTOMATIC LAUNDRY DRYERS; PROVIDES FABRIC SOFTENING, ANTISTATIC PROPERTIES, COLOR AND WHITENESS FIDELITY THE PROCTER & GAMBLE COMPANY (US) 2000-11-07 — — US disclosed
EP-0991615-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 2000-04-12 — — EP disclosed
EP-0991635-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 2000-04-12 — — EP disclosed
EP-0912679-A1 FABRIC TREATMENT COMPOSITIONS COMPRISING MODIFIED POLYAMINES THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 — — EP disclosed
WO-1999000347-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 — — WO disclosed
WO-1999000377-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 — — WO disclosed
WO-1997042289-A1 FABRIC TREATMENT COMPOSITIONS COMPRISING MODIFIED POLYAMINES THE PROCTER & GAMBLE COMPANY (US) 1997-11-13 — — WO disclosed
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