SCHEMBL5301934

SCHEMBL5301934

CCCC(Cc1ccccc1)C(CC)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.50
▸ CYP17A1 P05093 4/20 0.50
▸ CYP24A1 Q07973 1/20 0.44
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ TBXA2R P21731 1/20 0.41

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
SCHEMBL5293144 0.93 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1TBXA2R
SCHEMBL5300290 0.92 CYP17A1 (0.52) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5285238 0.92 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5292748 0.91 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5294875 0.90 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5304281 0.90 CYP17A1 (0.47) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5301978 0.90 CYP17A1 (0.47) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5295412 0.90 CYP17A1 (0.47) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5813490 0.90 CYP17A1 (0.47) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2
SCHEMBL5291385 0.90 CYP17A1 (0.47) CYP19A1CYP17A1CYP24A1CYP11B1CYP11B2

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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