SCHEMBL8698559

SCHEMBL8698559

O=C(OCC=Cc1ccccc1Br)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 1/20 0.42
TK1 P04183 1/20 0.41
LY96 Q9Y6Y9 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL27904503 0.82 TDP1 (0.45) TDP1NPC1RAB9AMAPK1HIF1A
SCHEMBL27904502 0.82 TDP1 (0.45) TDP1NPC1RAB9AMAPK1HIF1A
SCHEMBL9997273 0.81 HSD11B1 (0.50) HSD11B1NPC1KMT2AALDH1A1LMNA
SCHEMBL9997271 0.81 HSD11B1 (0.50) HSD11B1NPC1KMT2AALDH1A1LMNA
SCHEMBL8078151 0.80 TDP1 (0.61) TDP1NPC1HPGDRAB9AMAPK1
SCHEMBL8522569 0.80 TDP1 (0.61) TDP1NPC1HPGDRAB9AMAPK1
SCHEMBL8522570 0.80 TDP1 (0.61) TDP1NPC1HPGDRAB9AMAPK1
SCHEMBL382618 0.79 MMP1 (0.60) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL382617 0.79 MMP1 (0.60) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11883525 0.78 HSD11B1 (0.46) HSD11B1NPC1KMT2ABCHELY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed