SCHEMBL14746157

SCHEMBL14746157

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)cc1F.CCc1cc(C(=O)Oc2c(CC)c(-c3ccc(OC)cc3OC)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc(N2CCCC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.35
MAPT P10636 4/20 0.33
EDNRB P24530 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RORC P51449 1/20 0.31
DCTPP1 Q9H773 2/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
THRB P10828 1/20 0.31
DHODH Q02127 1/20 0.30
PARP1 P09874 1/20 0.30
SSTR5 P35346 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14746158 0.93 MAPT (0.34) MRGPRX4MAPTALDH1A1L3MBTL1RORC
SCHEMBL14746159 0.91 MRGPRX4 (0.36) MRGPRX4MAPTEDNRBALDH1A1L3MBTL1
SCHEMBL14745493 0.77 ALDH1A1 (0.39) MAPTALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL14745618 0.77 ALDH1A1 (0.42) MRGPRX4MAPTALDH1A1L3MBTL1LMNA
SCHEMBL14745278 0.76 IP6K1 (0.42) MRGPRX4MAPTALDH1A1L3MBTL1RORC
SCHEMBL14745700 0.76 ALDH1A1 (0.34) MAPTALDH1A1L3MBTL1DCTPP1LMNA
SCHEMBL14745683 0.76 HIF1A (0.42) MRGPRX4MAPTALDH1A1L3MBTL1LMNA
SCHEMBL14745963 0.76 GRK6 (0.43) MRGPRX4MAPTALDH1A1L3MBTL1LMNA
SCHEMBL14747050 0.76 MRGPRX4 (0.44) MRGPRX4MAPTALDH1A1L3MBTL1LMNA
SCHEMBL14745697 0.75 MRGPRX4 (0.44) MRGPRX4MAPTALDH1A1L3MBTL1LMNA

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-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed