SCHEMBL5814714

SCHEMBL5814714

CC(C(Cc1ccccc1)Cc1ccccc1)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.57
▸ CYP17A1 P05093 5/20 0.55
▸ CYP24A1 Q07973 1/20 0.50
▸ CYP26A1 O43174 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ TBXAS1 P24557 1/20 0.45
▸ QPCT Q16769 1/20 0.45
▸ CYP4Z1 Q86W10 1/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5305102 0.92 CYP19A1 (0.54) CYP19A1CYP17A1CYP24A1CYP26A1CYP3A4
SCHEMBL5288298 0.90 CYP19A1 (0.51) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5326129 0.89 CYP19A1 (0.59) CYP19A1CYP17A1CYP24A1CYP26A1CYP1A2
SCHEMBL5303184 0.87 CYP17A1 (0.53) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5818106 0.86 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5815029 0.85 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5292753 0.85 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5296538 0.85 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5815708 0.85 CYP17A1 (0.48) CYP19A1CYP17A1CYP24A1CYP26A1
SCHEMBL5304075 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 — — WO disclosed
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