SCHEMBL21457421

SCHEMBL21457421

CC(C)OC(=O)C(C#N)=Cc1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 4/20 0.59
POLB P06746 2/20 0.54
PTP4A3 O75365 1/20 0.53
PTP4A2 Q12974 1/20 0.53
PTP4A1 Q93096 1/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
TP53 P04637 3/20 0.44
MEN1 O00255 3/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDE P14735 1/20 0.42
CYP1A2 P05177 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
SCHEMBL21457419 1.00 ALDH1A1 (0.60) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457433 0.86 ALDH1A1 (0.63) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457436 0.86 ALDH1A1 (0.63) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457558 0.84 ALDH1A1 (0.62) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457560 0.84 ALDH1A1 (0.62) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457375 0.84 POLB (0.64) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL21457377 0.84 POLB (0.64) ALDH1A1MAPTPOLBLMNAKMT2A
SCHEMBL21457193 0.83 ALDH1A1 (0.60) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457396 0.83 ALDH1A1 (0.60) ALDH1A1MAPTPOLBPTP4A3PTP4A2
SCHEMBL21457246 0.83 ALDH1A1 (0.60) ALDH1A1MAPTPOLBPTP4A3PTP4A2

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 5 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
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN 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