SCHEMBL30438581

SCHEMBL30438581

CCc1nccn1CCC#N.CCc1nccn1CCC#N.CCc1nccn1CCC#N.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 2/20 0.44
PLAA Q9Y263 1/20 0.44
ALPL P05186 1/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL29045399 1.00 ALPG (0.44) ALPGPLAAALPLCA12CA1
SCHEMBL346574 0.88 AGTR1 (0.43) ALDH1A1HPGDKDM5AKDM5BAGTR1
SCHEMBL31484752 0.88 AGTR1 (0.43) ALDH1A1HPGDKDM5AKDM5BAGTR1
SCHEMBL27839823 0.88 AGTR1 (0.43) ALDH1A1HPGDKDM5AKDM5BAGTR1
SCHEMBL217674 0.88 AGTR1 (0.43) ALDH1A1HPGDKDM5AKDM5BAGTR1
SCHEMBL811491 0.86 ALPL (0.42) ALPGPLAAALPLALDH1A1KMT2A
SCHEMBL442104 0.86 ALPL (0.42) ALPGPLAAALPLALDH1A1KMT2A
SCHEMBL31484734 0.86 ALPL (0.42) ALPGPLAAALPLALDH1A1KMT2A
SCHEMBL444180 0.81 CYP19A1 (0.41) ALDH1A1KMT2AKDM4EMEN1PABPC1
SCHEMBL473284 0.81 CYP19A1 (0.41) ALDH1A1KMT2AKDM4EMEN1PABPC1

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
CN-109423309-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2023-08-04 CN disclosed
CN-109423307-B Liquid crystal alignment agent, method for producing liquid crystal alignment film, and liquid crystal display element 奇美实业股份有限公司 2023-07-04 CN disclosed