SCHEMBL8937628

SCHEMBL8937628

O=C(O)/C=C\c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.76
NPSR1 Q6W5P4 2/20 0.62
HDAC3 O15379 1/20 0.61
TNKS O95271 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HCAR2 Q8TDS4 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
SLC6A19 Q695T7 1/20 0.59
BACE1 P56817 1/20 0.59
CYP2D6 P10635 1/20 0.58
CYP1B1 Q16678 1/20 0.58

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
SCHEMBL31320929 1.00 HSD17B3 (0.76) HSD17B3NPSR1HDAC3TNKSHDAC4
SCHEMBL236624 1.00 HSD17B3 (0.76) HSD17B3NPSR1HDAC3TNKSHDAC4
SCHEMBL236623 1.00 HSD17B3 (0.76) HSD17B3NPSR1HDAC3TNKSHDAC4
SCHEMBL11470768 0.98 HSD17B3 (0.73) HSD17B3NPSR1HDAC3TNKSHDAC4
Hydrochloric Acid SCHEMBL6818198 0.98 HSD17B3 (0.73) HSD17B3NPSR1HDAC3TNKSHDAC4
SCHEMBL1035544 0.86 HSD17B3 (0.79) HSD17B3NPSR1SLC6A19BACE1CYP2D6
SCHEMBL1035543 0.86 HSD17B3 (0.79) HSD17B3NPSR1SLC6A19BACE1CYP2D6
SCHEMBL271386 0.86 NPSR1 (0.74) HSD17B3NPSR1HDAC3TNKSHDAC4
SCHEMBL69146 0.86 NPSR1 (0.74) HSD17B3NPSR1HDAC3TNKSHDAC4
SCHEMBL29162914 0.85 HSD17B3 (0.71) HSD17B3NPSR1SLC6A19BACE1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed