SCHEMBL16130480

SCHEMBL16130480

C/C=C\c1ccc(C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B1 P14061 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.42
CNR2 P34972 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10001339 1.00 LMNA (0.49) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL10591560 1.00 LMNA (0.49) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL8589167 0.88 LMNA (0.53) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL8589165 0.88 LMNA (0.53) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL10001340 0.85 LMNA (0.45) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL25304810 0.84 LMNA (0.50) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL7641597 0.84 LMNA (0.50) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL30929669 0.84 ALDH1A1 (0.48) LMNAMAPTHPGDRAB9ATP53
SCHEMBL7641591 0.84 LMNA (0.50) LMNAKMT2AMAPTHPGDL3MBTL1
SCHEMBL199971 0.82 ALDH1A1 (0.58) LMNAKMT2AMAPTHPGDL3MBTL1

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-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 US disclosed