SCHEMBL21457577

SCHEMBL21457577

CC(C)OC(=O)/C(C#N)=C/c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.49
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PTP4A3 O75365 1/20 0.41
PTP4A2 Q12974 1/20 0.41
PTP4A1 Q93096 1/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
IDE P14735 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL21457581 1.00 ALDH1A1 (0.53) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457170 0.89 ALDH1A1 (0.54) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457174 0.89 ALDH1A1 (0.54) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457329 0.88 ALDH1A1 (0.59) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457334 0.88 ALDH1A1 (0.59) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457493 0.88 ALDH1A1 (0.53) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457490 0.88 ALDH1A1 (0.53) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457250 0.86 ADORA2A (0.59) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457252 0.86 ADORA2A (0.59) ALDH1A1MAPTLMNAADORA2AADORA2B
SCHEMBL21457674 0.84 ALDH1A1 (0.55) ALDH1A1MAPTLMNAADORA2AADORA2B

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 6 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
CN-110248971-A Copolymer and the optical film for using the copolymer 东曹株式会社 2019-09-17 CN disclosed