SCHEMBL8663801

SCHEMBL8663801

C=C(C(=O)OCC)c1ccc(C)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 2/20 0.43
DGAT1 O75907 1/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8662091 0.86 DGAT1 (0.60) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL5059081 0.84 MAPT (0.55) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL20259607 0.82 NPSR1 (0.43) MAPTALDH1A1KDM4EDGAT1RAB9A
SCHEMBL659139 0.81 CA12 (0.56) HDAC1HDAC6MAPTALDH1A1KMT2A
SCHEMBL7713081 0.81 DGAT1 (0.45) HDAC1HDAC6MAPTALDH1A1KMT2A
SCHEMBL29640466 0.81 L3MBTL1 (0.52) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6783785 0.81 L3MBTL1 (0.52) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL5086187 0.79 ALDH1A1 (0.50) MAPTALDH1A1KMT2ARAB9ACA12
SCHEMBL13943192 0.79 HDAC1 (0.47) HDAC1HDAC6MAPTKMT2AKDM4E
SCHEMBL27929947 0.79 HCAR2 (0.46) MAPTALDH1A1KMT2AKDM4EMEN1

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
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed