SCHEMBL582711

SCHEMBL582711

Nc1cc(F)c(OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.50
NPC1 O15118 1/20 0.50
PTGER1 P34995 3/20 0.49
CTSV O60911 2/20 0.47
CTSL P07711 2/20 0.47
MCL1 Q07820 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BRD4 O60885 1/20 0.46
S1PR5 Q9H228 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MAP4K4 O95819 1/20 0.45
IDO1 P14902 1/20 0.45
FABP4 P15090 1/20 0.45

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
SCHEMBL30442197 0.87 FOLH1 (0.55) FOLH1MRGPRX4NPC1PTGER1CTSV
SCHEMBL25298462 0.87 FOLH1 (0.55) FOLH1MRGPRX4NPC1PTGER1CTSV
SCHEMBL11922623 0.87 NPC1 (0.49) MRGPRX4NPC1CTSVCTSLKDM4E
SCHEMBL5064933 0.85 BRD4 (0.47) FOLH1MRGPRX4NPC1PTGER1CTSV
SCHEMBL2684149 0.84 ALDH1A1 (0.49) MRGPRX4NPC1ALDH1A1BRD4LMNA
SCHEMBL4220259 0.84 MCL1 (0.54) FOLH1PTGER1MCL1KDM4EALDH1A1
SCHEMBL16585652 0.84 FOLH1 (0.58) FOLH1MRGPRX4NPC1PTGER1CTSV
SCHEMBL15968165 0.84 FOLH1 (0.55) FOLH1MRGPRX4NPC1PTGER1CTSV
SCHEMBL7430696 0.83 LTA4H (0.49) MRGPRX4NPC1PTGER1L3MBTL1S1PR5
SCHEMBL20400911 0.83 FOLH1 (0.55) FOLH1MRGPRX4NPC1PTGER1CTSV

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417130-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI (FR) 2012-02-15 EP disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed