SCHEMBL5813031

SCHEMBL5813031

CCCCCCCCCCCCCCCCC(Cc1ccccc1)C(CC)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.47
▸ TBXA2R P21731 3/20 0.47
▸ CYP19A1 P11511 9/20 0.46
▸ CYP24A1 Q07973 1/20 0.41
▸ CSNK1E P49674 1/20 0.41
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL5291563 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5291385 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5285629 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5304281 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5304620 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5305023 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5295412 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5301978 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5813490 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E
SCHEMBL5291712 1.00 CYP17A1 (0.47) CYP17A1TBXA2RCYP19A1CYP24A1CSNK1E

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
Send feedback