SCHEMBL5305102

SCHEMBL5305102

CCC(Cc1ccccc1)C(C)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.54
▸ CYP17A1 P05093 6/20 0.51
▸ CYP24A1 Q07973 1/20 0.47
▸ CYP26A1 O43174 2/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL5814714 0.92 CYP19A1 (0.57) CYP19A1CYP17A1CYP24A1CYP26A1CYP11B1
SCHEMBL5288298 0.89 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5303184 0.86 CYP17A1 (0.53) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5331117 0.86 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1CYP11B1
SCHEMBL5294875 0.85 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5818106 0.85 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5326129 0.84 CYP19A1 (0.59) CYP19A1CYP17A1CYP24A1CYP26A1CYP11B1
SCHEMBL5815029 0.84 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5297138 0.84 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5296538 0.84 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1

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
Send feedback