SCHEMBL7276079

SCHEMBL7276079

O=COCc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.56
MRGPRX4 Q96LA9 14/20 0.55
TP53 P04637 3/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 2/20 0.55
RAB9A P51151 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
HPGD P15428 1/20 0.54
XBP1 P17861 1/20 0.54
KMT2A Q03164 1/20 0.54
NR4A2 P43354 1/20 0.53

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
SCHEMBL28492714 0.82 GSK3B (0.46) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL5543244 0.82 LOXL2 (0.62) MRGPRX4SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL6000790 0.82 MRGPRX4 (0.68) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL11394076 0.81 MAOB (0.39)
SCHEMBL13316468 0.80 FOLH1 (0.61) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL5546275 0.80 CYP4F2 (0.59) TP53SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL15042306 0.79 AKR1B1 (0.48) NFKB1HPGD
SCHEMBL13477531 0.79 FOLH1 (0.51) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL565902 0.79 MRGPRX4 (0.67) FOLH1MRGPRX4TP53NFKB1NFKB2
SCHEMBL30331845 0.79 FOLH1 (0.59) FOLH1MRGPRX4TP53NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP disclosed