SCHEMBL21457594

SCHEMBL21457594

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
CYP3A4 P08684 2/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 2/20 0.59
CISD1 Q9NZ45 1/20 0.59
SLC16A3 O15427 1/20 0.59
SLC16A1 P53985 1/20 0.59
GPR35 Q9HC97 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PTP4A3 O75365 1/20 0.56
PTP4A2 Q12974 1/20 0.56
PTP4A1 Q93096 1/20 0.56
EGFR P00533 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53

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
SCHEMBL21457591 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4HPGDKDM4ECISD1
SCHEMBL21457572 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2APTP4A3
SCHEMBL21457576 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2APTP4A3
SCHEMBL21457524 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EPTP4A3PTP4A2
SCHEMBL21457526 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EPTP4A3PTP4A2
SCHEMBL21457539 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL21457757 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL21457760 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL21457142 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL6928912 0.87 ALDH1A1 (0.60) ALDH1A1CYP3A4HPGDKDM4ECISD1

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