SCHEMBL5544557

SCHEMBL5544557

C=COc1cc(C)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 6/20 0.44
ACHE P22303 1/20 0.39
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.37
CA1 P00915 2/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL17063055 0.79 ACHE (0.41) TDP1SMN1; SMN2TP53ALDH1A1ACHE
SCHEMBL29464240 0.79 ACHE (0.41) TDP1SMN1; SMN2TP53ALDH1A1ACHE
SCHEMBL21741514 0.76 ACHE (0.65) CYP3A4TDP1SMN1; SMN2ALDH1A1ACHE
SCHEMBL10289790 0.76 ACHE (0.39) CYP3A4TDP1TP53ALDH1A1ACHE
SCHEMBL1341152 0.76 CYP3A4 (0.42) CYP3A4TDP1ALOX15SMN1; SMN2TP53
SCHEMBL7766990 0.75 ACHE (0.41) CYP3A4TDP1SMN1; SMN2TP53ALDH1A1
SCHEMBL29591261 0.75 ACHE (0.41) CYP3A4TDP1SMN1; SMN2TP53ALDH1A1
SCHEMBL91459 0.74 ALDH1A1 (0.68) CYP3A4TDP1ALOX15SMN1; SMN2TP53
SCHEMBL30294328 0.74 ALDH1A1 (0.68) CYP3A4TDP1ALOX15SMN1; SMN2TP53
SCHEMBL1341730 0.73 CYP3A4 (0.48) CYP3A4TDP1ALOX15SMN1; SMN2TP53

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-3978021-A1 EXPRESSION REGULATOR OF P2X7 RECEPTOR Osaka University (JP) 2022-04-06 EP disclosed
US-7273710-B2 Method for screening MCH receptor antagonist/agonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-25 US disclosed