SCHEMBL1755700

SCHEMBL1755700

Nc1ccc(C(OC2CCCCO2)c2ccc(CO)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
DHFR P00374 1/20 0.34
GBA1 P04062 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PDE4A P27815 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
EPHX1 P07099 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL481123 0.84 EPHX1 (0.36) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1755702 0.80 PTGER4 (0.40) PTGER4DHFRCA12CA1CA2
SCHEMBL480790 0.79 TACR1 (0.38) PTGER4KMT2AEPHX1
SCHEMBL3105113 0.79 TACR1 (0.38) PTGER4KMT2AEPHX1
SCHEMBL481226 0.79 PTGER4 (0.34) PTGER4
SCHEMBL3105126 0.79 TACR1 (0.38) PTGER4KMT2AEPHX1
SCHEMBL481350 0.77 AR (0.39) PTGER4ALDH1A1NPC1RAB9A
SCHEMBL29167883 0.74 SLC6A3 (0.44) PTGER4MEN1KMT2ASLC6A3
SCHEMBL16334384 0.72 NPC1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2830733 0.72 ICAM1 (0.44) DHFRMEN1KMT2ACA12CA1

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-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed