SCHEMBL7662463

SCHEMBL7662463

CC(C)(C)ON(C=O)Cc1cccc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.39
MAOB P27338 1/20 0.36
RIPK1 Q13546 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
IKBKB O14920 1/20 0.34
ENPP2 Q13822 1/20 0.33

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
SCHEMBL5663890 0.85 LOXL2 (0.38) RIPK1ENPP2
SCHEMBL11503179 0.85 CYP1A2 (0.45) RIPK1
SCHEMBL4518626 0.82 HSD11B1 (0.38) MAOBRIPK1
SCHEMBL5604152 0.82 MEP1B (0.46)
SCHEMBL3865771 0.82 ENPP2 (0.44) RIPK1ENPP2
SCHEMBL7763429 0.81 MEN1 (0.41) RIPK1
SCHEMBL5548483 0.80 LOXL2 (0.52)
SCHEMBL4517778 0.78 CYP1A2 (0.51) MAOB
SCHEMBL6500462 0.77 GPR35 (0.47) MAOBPDK1PDK2PDK3PDK4
SCHEMBL6487700 0.76 BCHE (0.38) MAOBPDK1PDK2PDK3PDK4

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
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed