SCHEMBL5288298

SCHEMBL5288298

CCCC(Cc1ccccc1)C(C)n1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.51
▸ CYP17A1 P05093 7/20 0.51
▸ CYP24A1 Q07973 1/20 0.45
▸ CYP26A1 O43174 1/20 0.42
▸ 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
SCHEMBL5303184 0.92 CYP17A1 (0.53) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5818106 0.91 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5814714 0.90 CYP19A1 (0.57) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5292753 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5296538 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5304075 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5815708 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5297138 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5819367 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R
SCHEMBL5815029 0.90 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1TBXA2R

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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