SCHEMBL10600475

SCHEMBL10600475

O=C(O)Oc1cc(-c2ccc(F)cc2F)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.62
ACMSD Q8TDX5 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
DHFR P00374 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 1/20 0.62
ALB P02768 1/20 0.62
HMGB1 P09429 1/20 0.62
HPGD P15428 1/20 0.62
CXCL12 P48061 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
HSD17B10 Q99714 1/20 0.62
APP P05067 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL10768338 0.82 KDM4E (0.48) TTRACMSDKDM4EMEN1USP2
SCHEMBL14117521 0.81 KDM4E (0.52) TTRACMSDKDM4EMEN1USP2
SCHEMBL6205516 0.78 TTR (0.53) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL4337 0.77 ACMSD (1.00) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL29367380 0.77 ACMSD (1.00) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL30509654 0.77 ACMSD (1.00) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL3848363 0.77 ACMSD (1.00) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL20876816 0.76 ACMSD (0.97) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL28916416 0.76 ACMSD (0.97) TTRACMSDKDM4EMEN1USP2
Diflunisal SCHEMBL11425421 0.76 ACMSD (0.97) TTRACMSDKDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684681-B1 A MIXTURE FOR TRANSDERMAL DELIVERY OF LOW AND HIGH MOLECULAR WEIGHT COMPOUNDS ORYXE (US) 2018-10-24 EP claimed
EP-1765310-B1 A MIXTURE FOR TRANSDERMAL DELIVERY OF LOW AND HIGH MOLECULAR WEIGHT COMPOUNDS ORYXE (US) 2015-10-28 EP claimed
EP-0144519-B1 2',4'-DIFLUORO-4-HYDROXY-(1,1'-DIPHENYL)-3-CARBOXYLIC DERIVATIVES OF N-ACETYLCYSTEINE AND OF S-CARBOXYMETHYLCYSTEINE HAVING ANTI-INFLAMMATORY AND MUCOLYTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI GUIDOTTI S.P.A. (IT) 1987-06-10 EP claimed
EP-0130514-A2 Depot antiphlogistics Troponwerke GmbH & Co. KG (DE) 1985-01-09 EP claimed
EP-0132690-B1 THERMOPLASTICS CONTAINING ANTIPHLOGISTICS Troponwerke GmbH & Co. KG (DE) 1989-02-01 EP disclosed
EP-0201828-A2 Components for therapeutical drug delivery devices BAYER AG (DE) 1986-11-20 EP disclosed
EP-0132690-A1 Thermoplastics containing antiphlogistics Troponwerke GmbH & Co. KG (DE) 1985-02-13 EP disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed