SCHEMBL8536860

SCHEMBL8536860

CSc1ccc(C(=O)CCCCCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HAO1 Q9UJM8 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
PLK1 P53350 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL7196791 0.93 L3MBTL1 (0.55) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL13864138 0.86 HSD17B3 (0.67) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL16401383 0.83 HAO1 (0.47) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL11656990 0.83 HAO1 (0.47) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL7365891 0.81 HAO1 (0.49) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL7383618 0.80 GSK3B (0.62) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL7736066 0.80 GSK3B (0.62) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL11657015 0.80 PLK1 (0.46) HSD17B3L3MBTL1LMNAMAPTTDP1
SCHEMBL6138736 0.80 HAO1 (0.56) HSD17B3L3MBTL1HAO1HDAC1HDAC8
SCHEMBL456450 0.80 GSK3B (0.61) HAO1MMP2MMP9MMP8PLK1

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