SCHEMBL5325327

SCHEMBL5325327

CC(C)C(Cc1ccccc1)C(C(C)C)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.54
▸ CYP17A1 P05093 6/20 0.51
▸ CYP24A1 Q07973 1/20 0.47
▸ CYP26A1 O43174 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5820660 0.88 CYP19A1 (0.56) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5288505 0.87 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP26A1KDM4E
SCHEMBL5323604 0.87 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5294566 0.83 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5325992 0.83 CYP17A1 (0.52) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5331117 0.83 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5307764 0.83 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5283199 0.81 CYP17A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5330198 0.81 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5296766 0.80 CYP17A1 (0.47) CYP19A1CYP17A1CYP24A1

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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