SCHEMBL8724335

SCHEMBL8724335

COC=C(C(=O)O)c1ccccc1COc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA5 P31644 1/20 0.38
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
FOLH1 Q04609 1/20 0.36
TSHR P16473 1/20 0.36
SLC1A5 Q15758 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7171950 0.89 MAPK1 (0.41) MAPK1KMT2AHPGDTSHRALDH1A1
SCHEMBL7171946 0.89 MAPK1 (0.41) MAPK1KMT2AHPGDTSHRALDH1A1
SCHEMBL8724339 0.88 GABRA5 (0.40) MAPK1KMT2AGABRA5HPGDTP53
SCHEMBL2851880 0.83 GABRA5 (0.42) MAPK1KMT2AGABRA5TP53HTT
SCHEMBL20636585 0.83 HTR7 (0.38) MAPK1KMT2ATP53HTTFOLH1
SCHEMBL2851872 0.83 GABRA5 (0.42) MAPK1KMT2AGABRA5TP53HTT
SCHEMBL8338895 0.83 GABRA5 (0.42) MAPK1KMT2AGABRA5TP53HTT
SCHEMBL28357488 0.83 BCL2 (0.35) TP53HTTFOLH1CYP2C19
SCHEMBL8639304 0.83 KDM4E (0.47) TP53HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL6415157 0.82 TDP1 (0.39) KMT2AHTTALDH1A1

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