SCHEMBL8690233

SCHEMBL8690233

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58
CSNK1E P49674 1/20 0.57
TRPA1 O75762 2/20 0.53
ANPEP P15144 2/20 0.50
SLC15A1 P46059 1/20 0.50
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
LAP3 P28838 3/20 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
SCHEMBL11091491 1.00 EPHX1 (0.58) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL27199623 1.00 EPHX1 (0.58) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL4502384 1.00 EPHX1 (0.58) EPHX1CSNK1ETRPA1ANPEPSLC15A1
Hydrochloric Acid SCHEMBL11094659 0.98 EPHX1 (0.56) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL6425554 0.87 EPHX1 (0.62) EPHX1CSNK1ETRPA1ANPEPSLC15A1
Hydrochloric Acid SCHEMBL9388352 0.85 EPHX1 (0.60) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL4441102 0.83 EPHX1 (0.52) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL7340766 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL7758242 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ANPEPSLC15A1
SCHEMBL8761734 0.83 EPHX1 (0.58) EPHX1CSNK1ETRPA1ANPEPSLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847169-A Process for preparing oxiranemethanamine derivatives BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-12-08 US disclosed
US-4473554-A Bestatin-related compounds as immunopotentiator ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1984-09-25 US disclosed
US-4395402-A ENKEPHALIN IN HIBITOR, SYNERGISTIC COMPOUND WITH MORPHINE ZAIDAN HOJIN BISEIBUTSU KAGAKU KANKYU KAI (JP) 1983-07-26 US disclosed
EP-0077274-A1 3-Amino-2-hydroxy-4-phenylbutanoic acid derivatives and pharmaceutical composition containing the same ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-04-20 EP disclosed
US-4370318-A Bestatin-related compounds as immunopotentiator ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1983-01-25 US disclosed