SCHEMBL5294725

SCHEMBL5294725

CCCCCCCCCCCCCCCCCCC(C(CC)Cc1ccccc1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.47
▸ TBXA2R P21731 2/20 0.47
▸ CYP19A1 P11511 9/20 0.46
▸ CYP24A1 Q07973 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL5297216 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5284815 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5290847 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5292139 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5817503 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5305154 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5289007 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5307233 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5288410 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5810279 1.00 CYP17A1 (0.47) 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 1 patent. 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
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