SCHEMBL4738650

SCHEMBL4738650

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(OC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 3/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CDC25A P30304 2/20 0.54
▸ ABCC4 O15439 1/20 0.53
▸ POLA1 P09884 1/20 0.53
▸ ST6GAL1 P15907 2/20 0.52
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ INPP5D Q92835 1/20 0.50

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
SCHEMBL4739139 0.91 CDC25A (0.59) VDRUSP2CDC25AABCC4POLA1
SCHEMBL13017807 0.91 VDR (0.56) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4740075 0.91 VDR (0.56) VDRUSP2CDC25AABCC4POLA1
SCHEMBL21927842 0.90 VDR (0.57) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4739495 0.89 VDR (0.57) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4739243 0.88 CDC25A (0.58) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4738713 0.88 VDR (0.53) VDRUSP2CDC25AABCC4POLA1
SCHEMBL4734583 0.88 CDC25A (0.56) VDRUSP2CDC25AABCC4POLA1
SCHEMBL24015370 0.87 VDR (0.55) VDRUSP2CDC25AABCC4POLA1
SCHEMBL25819491 0.86 CYP2C19 (0.53) VDRUSP2ST6GAL1CYP2D6CYP2C19

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-2008077247-A1 COATINGS FOR IMPLANTABLE MEDICAL DEVICES COMPRISING CHOLESTEROL MIV THERAPEUTICS INC. (CA) 2008-07-03 — — WO disclosed
Send feedback