SCHEMBL5329705

SCHEMBL5329705

CC(C)C(CCc1ccccc1)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 1/20 0.48
▸ CYP17A1 P05093 8/20 0.48
▸ CYP19A1 P11511 5/20 0.48
▸ CYP26A1 O43174 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ TBXAS1 P24557 1/20 0.42
▸ QPCT Q16769 1/20 0.42
▸ CYP4Z1 Q86W10 1/20 0.42
▸ QPCTL Q9NXS2 1/20 0.42

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
SCHEMBL5305103 0.84 KDM4E (0.55) CYP24A1CYP17A1CYP19A1CYP26A1KDM4E
SCHEMBL9996107 0.81 CYP19A1 (0.50) CYP24A1CYP17A1CYP19A1CYP1A2POLB
Dimethylamine SCHEMBL10651852 0.81 KDM4E (0.54) CYP24A1CYP17A1CYP19A1CYP26A1KDM4E
Hydrochloric Acid SCHEMBL9996046 0.80 CYP19A1 (0.49) CYP24A1CYP17A1CYP19A1CYP1A2POLB
SCHEMBL5326726 0.79 CYP19A1 (0.52) CYP24A1CYP17A1CYP19A1CYP26A1
SCHEMBL5301494 0.79 CYP19A1 (0.55) CYP24A1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL29283781 0.78 CYP19A1 (0.50) CYP24A1CYP17A1CYP19A1CYP1A2POLB
SCHEMBL5295918 0.78 CYP19A1 (0.54) CYP24A1CYP17A1CYP19A1
SCHEMBL5327195 0.77 CYP17A1 (0.54) CYP24A1CYP17A1CYP19A1CYP26A1
SCHEMBL11017730 0.77 KDM4E (0.50) CYP24A1CYP17A1CYP19A1CYP26A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 — — WO disclosed
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