SCHEMBL7435963

SCHEMBL7435963

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
EPHX1 P07099 2/20 0.41
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MDM2 Q00987 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LAP3 P28838 3/20 0.37
CPA1 P15085 2/20 0.37

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
SCHEMBL7614971 0.82 CYP1A2 (0.41) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL1697450 0.73 CYP1A2 (0.48) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL22798139 0.73 CYP1A2 (0.48) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL15572061 0.73 CYP1A2 (0.48) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL16213431 0.72 EPHX1 (0.46) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL14304846 0.72 EPHX1 (0.46) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL27758693 0.71 CYP1A2 (0.46) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL23518757 0.71 TRPA1 (0.48) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL9445056 0.70 EPHX1 (0.56) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL5466644 0.70 TAAR1 (0.52) CYP1A2EPHX1SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136475-A2 Novel growth hormone-releasing peptides and method of treating mammals therewith The Administrators of The Tulane University Educational Fund (US) 1985-04-10 EP disclosed