SCHEMBL7428664

SCHEMBL7428664

O=C(O)Cc1ccc(NC(=O)OCc2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.43
NR1H4 Q96RI1 3/20 0.42
PNMT P11086 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.40
MMP8 P22894 1/20 0.39

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
SCHEMBL644988 0.87 PNMT (0.43) ENPP2PNMTNPC1RAB9APOLB
SCHEMBL8472728 0.85 PNMT (0.44) ENPP2PNMTNPC1RAB9APOLB
SCHEMBL6502789 0.81 PNMT (0.54) ENPP2PNMTNPC1RAB9AMAOA
SCHEMBL8541013 0.80 ENPP2 (0.47) ENPP2NR1H4PNMTNPC1RAB9A
SCHEMBL31633620 0.80 PNMT (0.53) ENPP2PNMTNPC1RAB9AMAOA
SCHEMBL29430517 0.79 PNMT (0.47) ENPP2PNMTNPC1RAB9AALDH1A1
SCHEMBL3459355 0.79 PNMT (0.47) ENPP2PNMTNPC1RAB9AALDH1A1
SCHEMBL29222741 0.79 NPC1 (0.48) PNMTNPC1RAB9APOLBALDH1A1
SCHEMBL27703872 0.79 PNMT (0.51) ENPP2PNMTNPC1RAB9AMAOA
Water SCHEMBL15362024 0.78 PNMT (0.46) ENPP2PNMTNPC1RAB9AALDH1A1

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
WO-2000061631-A1 MODIFIED PENTAPEPTIDE ANTAGONISTS OF THE ATRIAL NATRIURETIC PEPTIDE CLEARANCE RECEPTOR ASTRAZENECA AB (SE) 2000-10-19 WO disclosed