SCHEMBL7338663

SCHEMBL7338663

CCOC(=O)CNc1ccc(C(=O)OCC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
POLB P06746 2/20 0.64
HPGD P15428 2/20 0.58
RECQL P46063 1/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GAA P10253 3/20 0.56
CA12 O43570 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
RAB9A P51151 6/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.55

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
SCHEMBL4035568 0.92 POLB (0.62) TSHRPOLBHPGDRECQLCA1
SCHEMBL7335880 0.87 POLB (0.51) TSHRPOLBHPGDRECQLCA1
SCHEMBL7337821 0.87 POLB (0.51) TSHRPOLBHPGDRECQLCA1
SCHEMBL11815924 0.87 POLB (0.60) TSHRPOLBHPGDRECQLGAA
SCHEMBL4286423 0.87 HPGD (0.58) TSHRPOLBHPGDRECQLCA1
SCHEMBL6380991 0.85 POLB (0.58) TSHRPOLBHPGDRECQLCA1
SCHEMBL23310021 0.85 POLB (0.66) TSHRPOLBHPGDCA1CA2
SCHEMBL3083718 0.84 HPGD (0.63) TSHRPOLBHPGDRECQLCA1
SCHEMBL4035087 0.84 POLB (0.65) POLBCA1CA2GAACA12
SCHEMBL9804183 0.84 HPGD (0.63) TSHRPOLBHPGDRECQLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed
US-3946033-A FROM GLYCINE DERIVATIVE, PRIMARY AMINE, DIARYL CARBONATE TEIJIN LTD. (JA) 1976-03-23 US disclosed