SCHEMBL5043913

SCHEMBL5043913

CC(O)CNCc1ccc2[nH]c(-c3ccc(Cl)c4c[nH]cc34)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.41
PPARG P37231 2/20 0.39
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PLA2G1B P04054 1/20 0.34
POLB P06746 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
VSIR Q9H7M9 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
SCHEMBL5134533 0.84 FFAR1 (0.43) FFAR1PPARGVSIR
SCHEMBL5046975 0.82 FFAR1 (0.41) FFAR1PPARGALDH1A1KDM4EPOLB
SCHEMBL5043948 0.82 FFAR1 (0.40) FFAR1PPARGCYP1A2CYP2D6
SCHEMBL5134535 0.82 PRKCB (0.40) FFAR1PPARGALDH1A1
SCHEMBL5132461 0.80 PRMT5 (0.42) FFAR1PPARGMAPT
SCHEMBL3043739 0.77 KDR (0.42) FFAR1PPARG
SCHEMBL5134536 0.74 VSIR (0.43) FFAR1PPARGALDH1A1KDM4EMAPT
SCHEMBL5133013 0.71 CHEK1 (0.47) FFAR1ALDH1A1KDM4EPOLB
SCHEMBL5133476 0.69 HPGD (0.50) FFAR1ALDH1A1KDM4EMAPTPOLB
SCHEMBL3835065 0.65 FFAR1 (0.50) FFAR1PPARGFFAR4

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-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed