SCHEMBL28007167

SCHEMBL28007167

COc1ccc(C(=O)O)cc1C(=O)O.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.69
▸ CA1 P00915 1/20 0.69
▸ CA2 P00918 1/20 0.69
▸ CA4 P22748 1/20 0.69
▸ CA6 P23280 1/20 0.69
▸ CA7 P43166 1/20 0.69
▸ TPMT P51580 1/20 0.69
▸ CA9 Q16790 1/20 0.69
▸ CA14 Q9ULX7 1/20 0.69
▸ HTT P42858 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ TSHR P16473 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ TTR P02766 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL901309 0.98 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL29446743 0.98 CA12 (0.71) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL11840020 0.96 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL2087813 0.87 AKR1C3 (0.64) CA12CA1CA2CA4CA6
SCHEMBL29956237 0.87 AKR1C3 (0.64) CA12CA1CA2CA4CA6
SCHEMBL6636593 0.87 CA12 (0.67) CA12CA1CA2CA4CA6
Azobenzene SCHEMBL28778963 0.85 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL310059 0.85 MAPT (0.60) CA12CA1CA2CA4CA6
SCHEMBL9187900 0.85 AKR1C3 (0.62) CA12CA1CA2CA4CA6
SCHEMBL30456978 0.85 CA12 (0.65) 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-104370735-A Improved 4-hydroxy isophthalic acid preparation method CHENGDU MILITARY GENERAL HOSPITAL PLA 2015-02-25 — — CN disclosed
Send feedback