SCHEMBL21457134

SCHEMBL21457134

N#C/C(=C\c1cccc(C(=O)O)c1C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
EGFR P00533 4/20 0.48
CISD1 Q9NZ45 1/20 0.45
SLC16A3 O15427 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
SLC16A1 P53985 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 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
SCHEMBL21457135 1.00 KDM4E (0.52) KDM4EPKMLMNAKMT2AEGFR
SCHEMBL30665832 0.84 EGFR (0.55) KDM4EPKMLMNAKMT2AEGFR
SCHEMBL21457252 0.84 ADORA2A (0.59) KDM4EPKMLMNAKMT2AALDH1A1
SCHEMBL21457250 0.84 ADORA2A (0.59) KDM4EPKMLMNAKMT2AALDH1A1
SCHEMBL21457599 0.84 TRPA1 (0.46) KDM4EPKMLMNAKMT2AEGFR
SCHEMBL21457577 0.81 ALDH1A1 (0.53) KDM4EPKMLMNAKMT2AALDH1A1
SCHEMBL21457498 0.81 MIF (0.55) KDM4EPKMLMNAKMT2AALDH1A1
SCHEMBL21457581 0.81 ALDH1A1 (0.53) KDM4EPKMLMNAKMT2AALDH1A1
SCHEMBL21457494 0.81 MIF (0.55) KDM4EPKMLMNAKMT2AALDH1A1
SCHEMBL21457469 0.79 MIF (0.44) KDM4EPKMLMNAKMT2AALDH1A1

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-3553097-B1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORP (JP) 2022-05-04 EP disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed