SCHEMBL4441102

SCHEMBL4441102

N[C@@H](CO)C(O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
CSNK1E P49674 1/20 0.49
TRPA1 O75762 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC15A1 P46059 1/20 0.46
LAP3 P28838 3/20 0.46
ANPEP P15144 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
SCHEMBL27863404 1.00 EPHX1 (0.52) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL3972803 1.00 EPHX1 (0.52) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL6425554 0.87 EPHX1 (0.62) EPHX1CSNK1ETRPA1ALPIPKM
Hydrochloric Acid SCHEMBL9388352 0.85 EPHX1 (0.60) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL4502384 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL8690233 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL296417 0.83 EPHX1 (0.52) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL27199623 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL11091491 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ALPIPKM
SCHEMBL724380 0.82 ANPEP (0.59) EPHX1CSNK1ETRPA1ALPIPKM

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-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO disclosed