SCHEMBL28114618

SCHEMBL28114618

Cc1ccc(C(=O)O)cc1Oc1cc(C(=O)O)ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TSHR P16473 5/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
TTR P02766 3/20 0.50
RXRA P19793 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8508445 0.87 TTR (0.69) CA12CA1CA2CA4CA6
SCHEMBL31406172 0.86 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL503429 0.86 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL27414055 0.86 TTR (0.67) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL2377733 0.84 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL16981241 0.84 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL272042 0.83 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL31721229 0.83 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL1923388 0.82 TSHR (0.73) CA12CA1CA2CA4CA6
SCHEMBL2355196 0.81 TSHR (0.68) CA12CA1CA2CA4CA6

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-104968704-B Process for producing polyarylate 三菱瓦斯化学株式会社 2016-12-14 CN disclosed