SCHEMBL7250759

SCHEMBL7250759

O=C(O)c1cc2cc3c(cc2oc1=O)OCO3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.55
MAOA P21397 2/20 0.54
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA6 P23280 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
CA5B Q9Y2D0 4/20 0.53
CA4 P22748 3/20 0.53
CA5A P35218 3/20 0.53
MAOB P27338 3/20 0.53
CA3 P07451 3/20 0.53
TSHR P16473 1/20 0.53
CA2 P00918 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 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
SCHEMBL8756161 0.86 KDM4E (0.54) GPR35MAOACA12CA1CA7
SCHEMBL5595982 0.82 L3MBTL1 (0.43) GPR35MAOACA12CA1CA6
SCHEMBL7752963 0.79 MAOB (0.61) MAOACA12CA6CA7CA9
SCHEMBL22001257 0.77 GAPDH (0.43) MAOACA12CA9MAOBKDM4E
SCHEMBL980268 0.76 GPR35 (0.76) GPR35MAOACA12CA1CA6
SCHEMBL29628919 0.76 GPR35 (0.76) GPR35MAOACA12CA1CA6
SCHEMBL22059593 0.76 KDM4E (0.41) CA12CA1CA6CA7CA9
SCHEMBL11512228 0.75 CA12 (0.66) GPR35MAOACA12CA1CA6
SCHEMBL17211949 0.73 GPR35 (0.75) GPR35MAOACA12CA1CA6
SCHEMBL15138660 0.73 ALDH1A1 (0.60) MAOBTSHRKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003335771-A METHOD FOR PRODUCING 6,7-DYHYDROXYCOUMARIN-3-CARBOXYLIC ACID DERIVATIVE, AND ITS INTERMEDIATE UBE IND LTD 2003-11-28 JP disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed