SCHEMBL9220588

SCHEMBL9220588

CCCCCCCCCCCCCCCCCC(C)(C=O)CCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GGPS1 O95749 6/20 0.41
EPHX1 P07099 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FDPS P14324 9/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CES2 O00748 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 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
SCHEMBL9245830 0.95 TSHR (0.39) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL10304506 0.93 TSHR (0.37) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL28358059 0.93 TSHR (0.37) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL6796097 0.91 TSHR (0.41) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL6798591 0.91 TSHR (0.41) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL6797613 0.91 TSHR (0.41) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL6797179 0.91 TSHR (0.41) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL6792415 0.91 TSHR (0.41) TSHRGGPS1EPHX1ADH1BADH1C
SCHEMBL9171978 0.90 TSHR (0.39) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL5138900 0.88 TSHR (0.37) TSHRGGPS1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006097-A1 FABRIC TREATMENT COMPOSITION SASOL CHEMICAL INDUSTRIES (PROPRIETARY) LIMITED (ZA) 1995-03-02 WO disclosed
EP-0086104-B1 METHOD OF SOFTENING FABRICS UNILEVER N.V. (NL) 1989-05-03 EP disclosed
EP-0088520-B1 FABRIC SOFTENING COMPOSITION UNILEVER N.V. (NL) 1989-04-26 EP disclosed
US-4464273-A CATIONIC SURFACTANTS, LANOLIN, AND FLOW CONTROL AGENTS LEVER BROTHERS COMPANY (US) 1984-08-07 US disclosed
US-4464272-A CATIONIC SURFACTANTS, LANOLIN; LOW VISCOSITY LEVER BROTHERS COMPANY (US) 1984-08-07 US disclosed
EP-0088520-A2 Fabric softening composition UNILEVER N.V. (NL) 1983-09-14 EP disclosed
EP-0086105-A2 Fabric softening composition UNILEVER N.V. (NL) 1983-08-17 EP disclosed
EP-0086104-A2 Method of softening fabrics UNILEVER N.V. (NL) 1983-08-17 EP disclosed
EP-0086106-A2 Fabric softening composition UNILEVER N.V. (NL) 1983-08-17 EP disclosed
US-4326965-A Liquid fabric-softening composition LEVERS BROTHERS COMPANY (US) 1982-04-27 US disclosed