SCHEMBL28032019

SCHEMBL28032019

NCc1cc(C(=O)O)ccc1Oc1ccc(C(=O)O)cc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ TPMT P51580 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ TTR P02766 4/20 0.45
▸ TSHR P16473 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MRGPRX4 Q96LA9 2/20 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
SCHEMBL28993336 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL28032025 0.85 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL28032622 0.83 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL27283211 0.80 TSHR (0.46) CA12CA1CA2CA4CA6
SCHEMBL11360430 0.80 CA12 (0.46) CA12CA1CA2CA4CA6
SCHEMBL18624970 0.79 TTR (0.46) CA12CA1CA2CA4CA6
SCHEMBL11854246 0.79 KDM4E (0.48) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL27760143 0.79 TSHR (0.44) CA12CA1CA2CA4CA6
SCHEMBL8131822 0.77 CA1 (0.57) CA12CA1CA2CA4CA6
SCHEMBL8123998 0.77 CDC25B (0.52) 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 2 patents. 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
CN-104968704-A Process for producing polyarylate MITSUBISHI GAS CHEMICAL CO 2015-10-07 — — CN disclosed
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