SCHEMBL28032022

SCHEMBL28032022

CCc1ccc(C(=O)O)cc1Oc1cc(C(=O)O)ccc1CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ TPMT P51580 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ TSHR P16473 4/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ TTR P02766 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL2592749 0.87 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL25289127 0.85 TSHR (0.68) CA12CA1CA2CA4CA6
SCHEMBL28032622 0.85 CA12 (0.53) CA12CA1CA2CA4CA6
SCHEMBL28032025 0.83 CA12 (0.47) CA12CA1CA2CA4CA6
SCHEMBL13104135 0.81 RXRA (0.48) CA12CA1CA2CA4CA6
SCHEMBL26034711 0.80 TSHR (0.49) CA12CA1CA2CA4CA6
SCHEMBL3374024 0.80 RARB (0.51) TSHRALDH1A1POLBCASP6TP53
SCHEMBL2755400 0.79 ALDH1A1 (0.56) CA12CA1CA2CA4CA6
SCHEMBL2937588 0.79 TSHR (0.51) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL10354232 0.78 ALDH1A1 (0.54) 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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