SCHEMBL8317767

SCHEMBL8317767

N#Cc1ccc(NC[C@H](O)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.46
MMP2 P08253 1/20 0.42
MAPT P10636 5/20 0.40
HTT P42858 3/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
IDO1 P14902 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA7 P43166 1/20 0.38
GLA P06280 1/20 0.38
GRK2 P25098 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL8316645 1.00 EGLN2 (0.46) EGLN2MMP2MAPTHTTSAE1
SCHEMBL3267016 1.00 EGLN2 (0.46) EGLN2MMP2MAPTHTTSAE1
SCHEMBL407716 0.80 ALDH1A1 (0.45) EGLN2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL28956694 0.80 ALDH1A1 (0.45) EGLN2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL7275456 0.80 ABCC9 (0.44) MMP2MAPTHTTSAE1UBA2
SCHEMBL1724786 0.76 EGLN2 (0.44) EGLN2GLAMEN1KMT2A
SCHEMBL12126047 0.76 MAPT (0.44) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL28827422 0.76 MAPT (0.41) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL33651 0.76 MAPT (0.41) MAPTHTTSMN1; SMN2ALDH1A1ADRB2
SCHEMBL18412373 0.76 LOXL2 (0.44) MMP2SAE1UBA2ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623615-B1 Substituted 1-phenyl-oxazolidin-2-one derivatives, their preparation and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 1999-06-30 EP disclosed
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0623615-A1 Adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1994-11-09 EP disclosed