SCHEMBL4428964

SCHEMBL4428964

O=C(O)c1cc(-c2cccc(F)c2F)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 9/20 0.77
DHFR P00374 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
LMNA P02545 1/20 0.61
TTR P02766 1/20 0.61
ALB P02768 1/20 0.61
HMGB1 P09429 1/20 0.61
HPGD P15428 1/20 0.61
CXCL12 P48061 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MCL1 Q07820 8/20 0.60
HNF4A P41235 1/20 0.56

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
SCHEMBL412439 0.87 ACMSD (1.00) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL17202660 0.81 MCL1 (0.77) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL444743 0.79 ACMSD (0.62) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL2533617 0.78 ACMSD (0.76) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL11014667 0.77 ACMSD (0.47) ACMSDDHFRKDM4EMEN1USP2
SCHEMBL3992448 0.76 KDM4E (0.68) ACMSDDHFRKDM4EMEN1USP2
Diflunisal SCHEMBL4337 0.76 ACMSD (1.00) ACMSDDHFRKDM4EMEN1USP2
Diflunisal SCHEMBL30509654 0.76 ACMSD (1.00) ACMSDDHFRKDM4EMEN1USP2
Diflunisal SCHEMBL29367380 0.76 ACMSD (1.00) ACMSDDHFRKDM4EMEN1USP2
Diflunisal SCHEMBL3848363 0.76 ACMSD (1.00) ACMSDDHFRKDM4EMEN1USP2

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
CN-103864606-A Eutectic of diflunisal and pyridine formamide compounds and preparation method thereof SUZHOU INST NANO TECH & NANO B 2014-06-18 CN disclosed
EP-2114384-A2 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY Derma-Young Ltd. (IL) 2009-11-11 EP disclosed
WO-2008099397-A2 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY DERMA-YOUNG LTD. (IL) 2008-08-21 WO disclosed
EP-1893203-A2 MEDICAMENT CONTAINING A BETAMIMETIC IN CONJUNCTION WITH AN ANTICHOLINERGIC AND A PDE IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP disclosed
WO-2006128847-A2 MEDICAMENT CONTAINING A BETAMIMETIC IN CONJUNCTION WITH AN ANTICHOLINERGIC AND A PDE IV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 WO disclosed