SCHEMBL5326129

SCHEMBL5326129

CC(Cc1ccccc1)C(C)n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.59
▸ CYP17A1 P05093 5/20 0.56
▸ CYP24A1 Q07973 1/20 0.51
▸ CYP26A1 O43174 1/20 0.48
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ QPCT Q16769 1/20 0.46
▸ CYP4Z1 Q86W10 1/20 0.46
▸ QPCTL Q9NXS2 1/20 0.46

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 0.89 CYP19A1 (0.57) CYP19A1CYP17A1CYP24A1CYP26A1CYP2D6
SCHEMBL5288505 0.86 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL27862767 0.85 CYP19A1 (0.60) CYP19A1CYP17A1CYP24A1CYP26A1CYP2D6
SCHEMBL5305102 0.84 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1CYP26A1CYP3A4
SCHEMBL5286813 0.84 CYP17A1 (0.55) CYP19A1CYP17A1CYP24A1CYP26A1CYP3A4
SCHEMBL5820660 0.84 CYP19A1 (0.56) CYP19A1CYP17A1CYP24A1CYP26A1
Hydrochloric Acid SCHEMBL28794239 0.83 CYP19A1 (0.59) CYP19A1CYP17A1CYP24A1CYP26A1CYP2D6
SCHEMBL5303895 0.83 CYP19A1 (0.55) CYP19A1CYP17A1CYP24A1CYP26A1CYP11B1
SCHEMBL5288298 0.82 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL28865453 0.81 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1CYP26A1CYP11B1

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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