SCHEMBL11236596

SCHEMBL11236596

Cc1c(C)c2ccc(NC(=O)C(=O)O)cc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.69
▸ HSD17B3 P37058 1/20 0.54
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GPR35 Q9HC97 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
SCHEMBL11237808 0.86 MAOB (0.62) MAOBHSD17B3CA12CA1CA9
SCHEMBL11232986 0.83 MAOB (0.49) MAOBCA12CA1CA9KDM4E
SCHEMBL11236593 0.81 MAOB (0.64) MAOBHSD17B3CA12CA1CA9
SCHEMBL11232995 0.81 CA12 (0.74) CA12CA1CA9KDM4EALDH1A1
SCHEMBL10880139 0.78 MAOB (0.60) MAOBHSD17B3KDM4EALDH1A1HPGD
SCHEMBL11231762 0.78 ALDH1A1 (0.63) MAOBCA12CA1CA9KDM4E
SCHEMBL9074252 0.75 MAOB (0.50) MAOBALDH1A1RAB9AGAAMEN1
SCHEMBL11231792 0.74 SNCA (0.45) MAOBCA12CA1CA9ALDH1A1
SCHEMBL5191043 0.74 MAOB (0.68) MAOBHSD17B3CA12CA9KDM4E
SCHEMBL11234379 0.72 ACHE (0.48) MAOBCA12CA9KDM4ERAB9A

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
US-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 — — US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 — — US disclosed
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