SCHEMBL3464402

SCHEMBL3464402

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.47
ACR P10323 2/20 0.47
HGFAC Q04756 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PRSS1 P07477 1/20 0.46
STS P08842 1/20 0.45

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
SCHEMBL3464400 1.00 KMT2A (0.55) KMT2AMEN1POLBCA1CA2
SCHEMBL12642365 0.86 CA1 (0.64) KMT2AMEN1POLBCA1CA2
SCHEMBL7100110 0.83 HSD17B10 (0.50) KMT2AMEN1POLBCA1CA2
SCHEMBL5335495 0.83 CA12 (0.50) KMT2AMEN1CA1CA2MAPT
SCHEMBL4644243 0.81 CA1 (0.62) KMT2AMEN1POLBCA1CA2
SCHEMBL4905564 0.81 MAPT (0.53) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8025050 0.80 ESR1 (0.56) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL28066691 0.80 STAT3 (0.43) KMT2AMEN1CA1CA2MAPT
SCHEMBL27149 0.78 MAOB (0.48) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4364436 0.78 MAOB (0.48) KMT2AMEN1MAPTALDH1A1LMNA

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
US-20100249751-A1 Device for administering a dose of an analgesic liquid to an infant AGARWAL RAJ 2010-09-30 US disclosed