SCHEMBL6562529

SCHEMBL6562529

CC#CNCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.46
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
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
THRB P10828 1/20 0.40
PPARA Q07869 2/20 0.37
GBA1 P04062 4/20 0.35
CASP2 P42575 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL4914908 0.97
SCHEMBL3896407 0.90
SCHEMBL3893416 0.78
SCHEMBL4370478 0.78 CA12 (0.40) TSHRCASP2CA1CA2
SCHEMBL9661841 0.72 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL1794385 0.72 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL10873634 0.72 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3294222 0.72 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL3250894 0.72 EPHX1 (0.48) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL511635 0.72

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-2203150-B1 PERSONAL CARE COMPOSITIONS COMPRISING UNDECYL SULFATES PROCTER & GAMBLE (US) 2016-06-01 EP claimed
EP-1397475-A2 COMPACTABLE POWDERS HUNTSMAN INTERNATIONAL LLC (US) 2004-03-17 EP disclosed
WO-2002102948-A3 COMPACTABLE POWDERS HUNTSMAN INTERNAT LLC A LTD LI (US) 2003-04-24 WO disclosed
WO-2002102948-A2 COMPACTABLE POWDERS HUNTSMAN INTERNATIONAL LLC A LIMITED LIABILITY COMPANY FORMED UNDER THE LAWS OF DELAWARE, USA (US) 2002-12-27 WO disclosed