SCHEMBL3889975

SCHEMBL3889975

CC(Cc1cc(N)c(OCC2CCCC2)c(-c2ccc3c(ccn3C)c2)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.38
AR P10275 1/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
TGFBR1 P36897 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL3891660 0.88 APP (0.36) CHRNA7ARPIK3CDABL1EGFR
SCHEMBL3889305 0.87 APP (0.38) CHRNA7ARPIK3CDABL1EGFR
SCHEMBL3482990 0.87 THRA (0.48) CHRNA7ARPIK3CDABL1EGFR
SCHEMBL3897931 0.87 CHRNA7 (0.36) CHRNA7FFAR4CCNCCDK8
SCHEMBL3883666 0.85 CHRNA7 (0.42) CHRNA7
SCHEMBL3892394 0.85 AKR1C3 (0.38)
SCHEMBL3887928 0.84 CHRNA7 (0.41) CHRNA7SRC
SCHEMBL3882720 0.84 CHRNA7 (0.39) CHRNA7ARPIK3CDABL1EGFR
SCHEMBL3897348 0.82 PTGS2 (0.41) ARABL1MTORTGFBR1
SCHEMBL3891647 0.81 AR (0.35) CHRNA7ARCCNCCDK8

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