SCHEMBL9828457

SCHEMBL9828457

COC(=O)c1cccc(C(=O)c2ccc(O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.63
▸ CA1 P00915 3/20 0.63
▸ CA2 P00918 3/20 0.63
▸ CA7 P43166 3/20 0.63
▸ CA9 Q16790 3/20 0.63
▸ CA14 Q9ULX7 3/20 0.63
▸ P4HB P07237 1/20 0.58
▸ XDH P47989 1/20 0.53
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ STS P08842 1/20 0.51

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
SCHEMBL2339850 0.91 TSHR (0.61) CA12CA1CA2CA7CA9
SCHEMBL2892627 0.89 TSHR (0.61) CA12CA1CA2CA7CA9
SCHEMBL10420733 0.88 P4HB (0.60) CA12CA1CA2CA7CA9
SCHEMBL5733350 0.87 L3MBTL1 (0.69) HTTHPGDATMTDP1L3MBTL1
SCHEMBL9828698 0.87 LOXL2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL10506033 0.86 TDP1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL7907765 0.86 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3467966 0.85 CA1 (0.87) CA12CA1CA2CA7CA9
SCHEMBL698836 0.85 LMNA (0.71) LMNAHTTMAPTESR1ESR2
SCHEMBL10395127 0.85 LMNA (0.71) LMNAHTTMAPTESR1ESR2

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
US-5051427-A Antiinflammatory agents and antiallergens RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-09-24 — — US disclosed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? — 1991-03-13 — — EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 — — EP disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 — — US disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 — — WO disclosed
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