SCHEMBL3887928

SCHEMBL3887928

CC(Cc1ccc(OCC2CCCCC2)c(-c2ccc3c(ccn3C)c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.41
XDH P47989 1/20 0.38
MDM2 Q00987 1/20 0.37
GRM2 Q14416 1/20 0.37
C5AR1 P21730 1/20 0.37
SRC P12931 3/20 0.37
YES1 P07947 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL3883666 0.99 CHRNA7 (0.42) CHRNA7MDM2GRM2
SCHEMBL3888290 0.90 P2RX3 (0.38) XDHGRM2C5AR1SRCYES1
SCHEMBL3892392 0.89 P2RX3 (0.36) XDHGRM2C5AR1SRCYES1
SCHEMBL3888282 0.88 GRM2 (0.39) CHRNA7MDM2GRM2
SCHEMBL3881971 0.88 FFAR4 (0.43) GRM2SRC
SCHEMBL3893026 0.86 GRM2 (0.40) CHRNA7MDM2GRM2
SCHEMBL3882968 0.86 THRA (0.46) CHRNA7XDHC5AR1
SCHEMBL3884556 0.85 THRA (0.44) CHRNA7MDM2
SCHEMBL3889975 0.84 CHRNA7 (0.38) CHRNA7SRC
SCHEMBL3881996 0.84 KEAP1 (0.40) XDHC5AR1SRCYES1KEAP1

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