SCHEMBL5294227

SCHEMBL5294227

CCCCCCCCCCCCC(Cc1ccccc1)C(C)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.48
TBXA2R P21731 2/20 0.48
CYP19A1 P11511 8/20 0.47
CYP24A1 Q07973 1/20 0.42
CSNK1E P49674 1/20 0.42
CYP26A1 O43174 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
SCHEMBL5292753 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5815708 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5297138 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5296538 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5288815 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5810918 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5286877 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5817539 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5304768 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5304075 1.00 CYP17A1 (0.48) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed