SCHEMBL3897348

SCHEMBL3897348

CC(Cc1cc(N)c(OCC2CCCC2)c(-c2ccc3[nH]ccc3c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
MTOR P42345 1/20 0.35
AR P10275 1/20 0.34
MCL1 Q07820 1/20 0.34
MAP3K11 Q16584 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ENPP2 Q13822 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
APP P05067 2/20 0.34
ABL1 P00519 1/20 0.33
TGFBR1 P36897 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
VCP P55072 1/20 0.33
FABP4 P15090 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
SCHEMBL3883758 0.90 PTGS2 (0.41) PTGS2MTORMCL1MAP3K11THRA
SCHEMBL3891613 0.90 APP (0.42) PTGS2MTORMCL1MAP3K11THRA
SCHEMBL3882901 0.89 PTGS2 (0.43) PTGS2ARMCL1MAP3K11ENPP2
SCHEMBL3882575 0.88 PTGS2 (0.43) PTGS2ARMCL1MAP3K11THRA
SCHEMBL3893664 0.87 PTGS2 (0.39) PTGS2MTORMCL1MAP3K11THRA
SCHEMBL3892394 0.86 AKR1C3 (0.38) THRATHRBAPPFABP4
SCHEMBL3884668 0.86 PTGS2 (0.42) PTGS2MTORMAP3K11ENPP2VCP
SCHEMBL3483255 0.86 THRA (0.49) PTGS2MTORTHRATHRBENPP2
SCHEMBL3882329 0.83 THRA (0.38) PTGS2MTORARTHRATHRB
SCHEMBL3888016 0.83 PTGS2 (0.43) PTGS2MTORARMCL1MAP3K11

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed