SCHEMBL3883580

SCHEMBL3883580

CC(Cc1ccc(OC2CCCC2)c(-c2ccc3cn[nH]c3c2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
CTSC P53634 2/20 0.38
F11 P03951 1/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 1/20 0.38
TPH1 P17752 1/20 0.37
ABL1 P00519 1/20 0.37
AR P10275 1/20 0.37
DDR2 Q16832 3/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
STAT3 P40763 1/20 0.36
KMO O15229 1/20 0.36
PDE4A P27815 2/20 0.36
NLRP3 Q96P20 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL3891048 0.93 MAPK14 (0.41) BCL9CTNNB1CTSCF11FGFR1
SCHEMBL3889253 0.92 MAPK14 (0.40) BCL9CTNNB1CTSCF11FGFR1
SCHEMBL3881923 0.92 MAPK14 (0.40) BCL9CTNNB1CTSCF11FGFR1
SCHEMBL3883049 0.84 FFAR4 (0.48) BCL9CTNNB1CTSCFGFR1FGFR2
SCHEMBL3892376 0.84 PDE4A (0.43) TPH1ADRB1ADRB3PDE4APDE4B
SCHEMBL3884512 0.83 IKBKB (0.44) ADRB1ADRB3KMOPDE4A
SCHEMBL3887129 0.83 ADRB1 (0.44) TPH1ADRB1ADRB3KMOPDE4A
SCHEMBL3893626 0.83 IKBKB (0.43) ADRB1ADRB3KMOPDE4A
SCHEMBL3885133 0.83 FFAR4 (0.44) CTSCTPH1ADRB1ADRB3KMO
SCHEMBL3883962 0.81 PDE4A (0.38) ABL1PDE4APDE4BPDE4CPDE4D

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