SCHEMBL21457716

SCHEMBL21457716

CC(C)COC(=O)C(C#N)=Cc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
ALDH1A1 P00352 10/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 6/20 0.52
PKM P14618 2/20 0.50
ATM Q13315 1/20 0.50
TP53 P04637 1/20 0.49
DNM1 Q05193 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL21457714 1.00 PDCD1 (0.53) PDCD1CD274ALDH1A1MAPTKMT2A
SCHEMBL21457553 0.88 ALDH1A1 (0.56) PDCD1CD274ALDH1A1MAPTKMT2A
SCHEMBL21457165 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457161 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457550 0.88 ALDH1A1 (0.56) PDCD1CD274ALDH1A1MAPTKMT2A
SCHEMBL21457465 0.86 MAPT (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457192 0.86 MAPT (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457509 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL21457189 0.86 MAPT (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4137735 0.86 ALDH1A1 (0.53) PDCD1CD274ALDH1A1MAPTKMT2A

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 4 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
US-11225540-B2 Copolymer and optical film using same TOSOH CORPORATION (JP) 2022-01-18 US disclosed
US-20200095358-A1 COPOLYMER AND OPTICAL FILM USING SAME TOSOH CORPORATION (JP) 2020-03-26 US disclosed
EP-3553097-A1 COPOLYMER AND OPTICAL FILM USING SAME Tosoh Corporation (JP) 2019-10-16 EP disclosed