SCHEMBL8306612

SCHEMBL8306612

CC(=O)Oc1ccc(CC(=O)C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.49
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ELANE P08246 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GLS O94925 1/20 0.43
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL2320549 0.81 HTT (0.59) LMNAMAPTPOLBPKMKMT2A
SCHEMBL8037879 0.81 POLB (0.61) LMNAGAAMAPTPOLBPKM
Water SCHEMBL11515624 0.80 HTT (0.58) LMNAMAPTPOLBPKMKMT2A
SCHEMBL384743 0.79 GAA (0.57) LMNAGAAMAPTPOLBPKM
SCHEMBL6794454 0.79 LMNA (0.55) LMNAGAAMAPTPOLBPKM
SCHEMBL9064975 0.79 ALDH1A1 (0.51) MAPTPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11489461 0.78 GAA (0.55) LMNAGAAMAPTPOLBPKM
SCHEMBL10568442 0.78 LMNA (0.59) LMNAGAAMAPTPOLBPKM
SCHEMBL11531056 0.78 LMNA (0.53) LMNAGAAMAPTPOLBPKM
SCHEMBL1849340 0.78 LMNA (0.53) LMNAGAAMAPTPOLBPKM

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-0914318-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1999-05-12 EP disclosed
WO-1997043267-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1997-11-20 WO disclosed