SCHEMBL8536661

SCHEMBL8536661

BrCCCCCCOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.65
KCNA3 P22001 1/20 0.61
PLA2G2A P14555 1/20 0.58
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
HRH3 Q9Y5N1 1/20 0.50
PPARA Q07869 1/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL4896604 0.98 LTA4H (0.67) LTA4HKCNA3PLA2G2AHDAC1HDAC2
SCHEMBL5375466 0.92 LTA4H (0.68) LTA4HKCNA3PLA2G2AHDAC1HDAC2
SCHEMBL1172113 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL7562039 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL7008145 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL23014989 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL1171574 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL9169690 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL7612512 0.92 KCNA3 (0.73) LTA4HKCNA3HDAC1HDAC2HDAC3
SCHEMBL311427 0.90 KCNA3 (0.76) LTA4HKCNA3HDAC1HDAC2HDAC3

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
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed
US-5459144-A Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor SCHERING CORPORATION (US) 1995-10-17 US disclosed
US-5272167-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-12-21 US disclosed
EP-0560407-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1993-09-15 EP disclosed
WO-1991000858-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS SCHERING CORPORATION (US) 1991-01-24 WO disclosed
EP-0407217-A1 Pharmaceutically active compounds SCHERING CORPORATION (US) 1991-01-09 EP disclosed
US-4851423-A Pharmaceutically active compounds SCHERING CORPORATION (US) 1989-07-25 US disclosed
EP-0274867-A2 Pharmaceutically active compounds SCHERING CORPORATION (US) 1988-07-20 EP disclosed