SCHEMBL5330176

SCHEMBL5330176

CCCCCCCC(C(C)Cc1ccccc1)n1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 6/20 0.49
▸ TBXA2R P21731 2/20 0.48
▸ CYP19A1 P11511 8/20 0.48
▸ CYP24A1 Q07973 1/20 0.43
▸ CSNK1E P49674 1/20 0.43

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
SCHEMBL5324623 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5323278 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5327320 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5327009 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5331824 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5818180 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5812195 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5324685 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5816649 1.00 CYP17A1 (0.49) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5817969 1.00 CYP17A1 (0.49) 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
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