SCHEMBL9212628

SCHEMBL9212628

N[CH]Cc1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.59
DRD2 P14416 2/20 0.55
DRD1 P21728 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
CA12 O43570 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL350297 0.80 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL24261209 0.79 ENPP2 (0.55) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL16167023 0.79 ENPP2 (0.55) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL299759 0.78 OPRM1 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL30001086 0.78 OPRM1 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL3506161 0.78 ENPP2 (0.54) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL28879888 0.78 ENPP2 (0.54) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL20534706 0.77 ENPP2 (0.52) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL7651106 0.77 ENPP2 (0.52) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL25620321 0.77 ENPP2 (0.52) ENPP2DRD2DRD1TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517345-B1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO CO (JP) 1995-07-19 EP claimed
EP-0517345-A1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO COMPANY LIMITED (JP) 1992-12-09 EP claimed
JP-1230568-A None JP disclosed
EP-0517345-B1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO CO (JP) 1995-07-19 EP disclosed
EP-0317292-B1 NEW ANTIBIOTICS OF THE MUREIDOMYCIN GROUP, THEIR PREPARATION, AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-07 EP disclosed
EP-0517345-A1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO COMPANY LIMITED (JP) 1992-12-09 EP disclosed
US-5041423-A Antibiotics of the mureidomycin group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1991-08-20 US disclosed
JP-H01230568-A MUREIDOMYCIN DERIVATIVE SANKYO CO LTD 1989-09-14 JP disclosed
EP-0317292-A2 New antibiotics of the mureidomycin group, their preparation, and their therapeutic use Sankyo Company Limited (JP) 1989-05-24 EP disclosed