SCHEMBL28097872

SCHEMBL28097872

O=C(O)c1cc(C(=O)O)cc(C(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
TPMT P51580 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
MAPT P10636 1/20 0.42
SELL P14151 1/20 0.42
HPGD P15428 1/20 0.42
SELP P16109 1/20 0.42
FUT4 P22083 1/20 0.42

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
SCHEMBL24851931 0.87 HCAR1 (0.55) DAOCA12CA1CA2CA7
SCHEMBL29556862 0.85 TPMT (0.61) DAOCA12CA1CA2CA7
SCHEMBL22926414 0.85 TPMT (0.61) DAOCA12CA1CA2CA7
SCHEMBL29639672 0.85 DAO (0.44) DAOCA12CA1CA2CA7
SCHEMBL22342458 0.82 CES2 (0.53) DAOMRGPRX4
SCHEMBL31502893 0.82 CES2 (0.53) DAOMRGPRX4
SCHEMBL22926161 0.80 DAO (0.37) DAOCA12CA1CA2CA7
SCHEMBL22926359 0.80 MRGPRX4 (0.42) DAOCA12CA1CA2CA7
SCHEMBL29639664 0.80 DAO (0.37) DAOCA12CA1CA2CA7
SCHEMBL23464553 0.79 DAO (0.36) DAOCA12CA1CA2CA7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662126-B Liquid crystal display element, liquid crystal composition and use thereof 捷恩智株式会社 2016-11-02 CN disclosed