SCHEMBL14745708

SCHEMBL14745708

CCCc1ccc2[nH]c(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)cc2c1.CCCc1ccc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)[nH]c2c1.CCc1c(-c2cc3cc(F)ccc3[nH]2)[nH]c(=O)c(C(=O)O)c1O.CCc1ccc2[nH]c(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)cc2c1.CCc1ccc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.42
PPARG P37231 2/20 0.42
DAO P14920 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PDPK1 O15530 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
FYN P06241 1/20 0.34
PARP1 P09874 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
SCHEMBL14745316 0.89 FFAR1 (0.44) FFAR1PPARGFFAR4
SCHEMBL14744838 0.89 DAO (0.43) FFAR1DAOMEN1KMT2AALDH1A1
SCHEMBL14745557 0.87 KDM4E (0.44) FFAR1PPARGDAOMEN1KMT2A
SCHEMBL14745407 0.86 DAO (0.51) FFAR1DAOMEN1KMT2AALDH1A1
SCHEMBL14745595 0.86 FFAR1 (0.42) FFAR1PPARGDAOMEN1KMT2A
SCHEMBL14745090 0.77 FFAR1 (0.44) FFAR1PPARGDAOKDM4EFFAR4
SCHEMBL14741336 0.77 DAO (0.51) FFAR1DAOMEN1KMT2ALMNA
SCHEMBL14744817 0.75 HSD17B10 (0.33) FFAR1PPARGDAOALDH1A1KDM4E
SCHEMBL14745184 0.74 KDM4E (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14745185 0.70 PPARG (0.46) FFAR1PPARGMEN1KMT2AALDH1A1

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-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed