SCHEMBL10957540

SCHEMBL10957540

C=CCOc1ccc2oc(C(=O)OC)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA9 Q16790 4/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ MAOB P27338 4/20 0.48
▸ TAS1R3 Q7RTX0 4/20 0.47
▸ TAS1R1 Q7RTX1 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ FLT3 P36888 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MTNR1A P48039 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
SCHEMBL10507360 0.88 CA12 (0.54) CA12CA1CA9HDAC3HDAC1
SCHEMBL9989067 0.82 MAOB (0.55) CA12CA1CA9MAOBTAS1R3
SCHEMBL446971 0.81 TAS1R3 (0.64) CA12CA1CA9TAS1R3TAS1R1
SCHEMBL8700176 0.80 TAS1R3 (0.50) MAOBTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL26041373 0.77 CA1 (0.49) CA12CA1CA9LMNAMAPT
SCHEMBL8696625 0.77 FLT3 (0.76) CA12CA9MAOBTAS1R3TAS1R1
SCHEMBL445130 0.75 KDM4E (0.55) MAOBALDH1A1KDM4ETSHR
SCHEMBL6042961 0.75 MAPT (0.47) CA12CA1CA9LMNAMAPT
SCHEMBL9048693 0.74 PIM1 (0.49) MAOBTAS1R3TAS1R1ALDH1A1HPGD
SCHEMBL5376581 0.74 BLM (0.50) CA12CA1CA9ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061800-B1 ANTI SRS-A CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-08-28 — — EP disclosed
US-4518612-A Naphthalene and 2-oxo-benzopyran acids and derivatives and pharamaceutical use thereof FISONS PLC (GB) 1985-05-21 — — US disclosed
US-4424231-A Compounds FISONS LIMITED (GB) 1984-01-03 — — US disclosed
EP-0061800-A1 Anti SRS-A carboxylic acid derivatives, processes for their production and pharmaceutical formulations containing them FISONS plc (GB) 1982-10-06 — — EP disclosed
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