SCHEMBL8724339

SCHEMBL8724339

CC=C(C(=O)O)c1ccccc1COc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
FOLH1 Q04609 1/20 0.38
TSHR P16473 1/20 0.38
SLC1A5 Q15758 1/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.36
FFAR1 O14842 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL8724335 0.88 MAPK1 (0.39) GABRA5MAPK1KMT2ATP53HTT
SCHEMBL8171322 0.87 MAPK1 (0.42) MAPK1KMT2ATSHRALDH1A1HPGD
SCHEMBL8338900 0.82 GABRA5 (0.45) GABRA5MAPK1KMT2ATP53HTT
SCHEMBL2851877 0.82 GABRA5 (0.45) GABRA5MAPK1KMT2ATP53HTT
SCHEMBL8338962 0.81 L3MBTL1 (0.41) KMT2ATP53HTTALDH1A1
SCHEMBL6415153 0.81 L3MBTL1 (0.41) KMT2ATP53HTTALDH1A1
SCHEMBL7171946 0.80 MAPK1 (0.41) MAPK1KMT2ATSHRALDH1A1HPGD
SCHEMBL7171950 0.80 MAPK1 (0.41) MAPK1KMT2ATSHRALDH1A1HPGD
SCHEMBL4648199 0.79 TAS2R14 (0.39) TP53HTTFOLH1MRGPRX4
SCHEMBL9021457 0.78 HDAC3 (0.40) KMT2ATP53HTTTSHRALDH1A1

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-0840726-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1998-05-13 EP disclosed
WO-1997001538-A1 PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED PYRID-2-YLOXYMETHYL)PHENYLACETATE ZENECA LIMITED (GB) 1997-01-16 WO disclosed