SCHEMBL28032025

SCHEMBL28032025

NCc1ccc(C(=O)O)cc1Oc1cc(C(=O)O)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA6 P23280 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ TPMT P51580 1/20 0.47
▸ TSHR P16473 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TTR P02766 4/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL1251597 0.86 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL28032019 0.85 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL28032022 0.83 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL9349500 0.83 TSHR (0.62) CA12CA1CA2CA4CA6
SCHEMBL16370064 0.82 KMT2A (0.49) CA12CA1CA2CA4CA6
SCHEMBL27283211 0.80 TSHR (0.46) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL27760143 0.79 TSHR (0.44) CA12CA1CA2CA4CA6
SCHEMBL9346007 0.79 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL2818924 0.77 KDM4E (0.47) CA12CA1CA2CA4CA6
SCHEMBL7510413 0.77 KDM4E (0.50) 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-A Process for producing polyarylate MITSUBISHI GAS CHEMICAL CO 2015-10-07 — — CN disclosed
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