SCHEMBL8395171

SCHEMBL8395171

Nc1cccc(C(=O)C(=O)c2ccccc2)c1O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.63
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CES2 O00748 10/20 0.52
CES1 P23141 9/20 0.52
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
RAB9A P51151 2/20 0.40
ALB P02768 1/20 0.40
NPC1 O15118 1/20 0.40
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
PBRM1 Q86U86 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6691083 0.84 MAPT (0.67) MMP2GAAMAPTCES2CES1
SCHEMBL1885623 0.83 MAPT (0.55) MMP2GAAMAPTCES2CES1
SCHEMBL1044569 0.83 MAPT (0.71) MMP2GAAMAPTMAPK1PBRM1
Benzil SCHEMBL3796381 0.82 MAPT (0.64) MMP2GAAMAPTCES2CES1
Hydrochloric Acid SCHEMBL27739689 0.81 MAPT (0.53) MMP2GAAMAPTCES2CES1
SCHEMBL28110230 0.81 MAPT (0.53) MMP2GAAMAPTCES2CES1
SCHEMBL9797520 0.81 CES2 (0.56) GAAMAPTCES2CES1ALB
SCHEMBL29547161 0.78 MMP2 (1.00) MMP2GAAMAPTRAB9AALB
SCHEMBL204392 0.78 MMP2 (1.00) MMP2GAAMAPTRAB9AALB
SCHEMBL2877065 0.78 MAPT (0.58) MMP2GAAMAPTCES2CES1

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
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed
CN-1142222-A Diesters of carbonic acid endowed with antiviral and anti-inflammatory activity ITALFARMACO SPA (IT) 1997-02-05 CN disclosed
EP-0748310-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.p.A. (IT) 1996-12-18 EP disclosed
WO-1995023128-A1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO S.P.A. (IT) 1995-08-31 WO disclosed