SCHEMBL14746158

SCHEMBL14746158

CCc1cc(C(=O)Oc2c(CC)c(-c3ccc(OC)cc3OC)[nH]c(=O)c2C(=O)OC(=O)c2cc(CC)c(-c3ccc(N4CCCC4)cc3F)[nH]c2=O)c(=O)[nH]c1-c1ccc(N2CCCC2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
RORC P51449 1/20 0.32
DCTPP1 Q9H773 2/20 0.32
THRB P10828 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
PARP1 P09874 1/20 0.31
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14746157 0.93 MRGPRX4 (0.35) MAPTRORCDCTPP1THRBMRGPRX4
SCHEMBL14746159 0.85 MRGPRX4 (0.36) MAPTRORCDCTPP1THRBMRGPRX4
SCHEMBL17594864 0.76 ALDH1A1 (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14745703 0.72
SCHEMBL14745493 0.71 ALDH1A1 (0.39) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14745495 0.71 ALDH1A1 (0.33) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14745618 0.70 ALDH1A1 (0.42) MAPTMRGPRX4ALDH1A1L3MBTL1MEN1
SCHEMBL14745278 0.70 IP6K1 (0.42) MAPTRORCMRGPRX4PARP1ALDH1A1
SCHEMBL14745700 0.70 ALDH1A1 (0.34) MAPTDCTPP1ALDH1A1L3MBTL1MEN1
SCHEMBL14745683 0.69 HIF1A (0.42) MAPTMRGPRX4ALDH1A1L3MBTL1MEN1

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