SCHEMBL8675826

SCHEMBL8675826

O=C(OCC=Cc1ccc(Br)cc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.44
USP2 O75604 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
PTGER1 P34995 6/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
CCR5 P51681 3/20 0.42
PTGES O14684 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL8675468 0.84 MRGPRX4 (0.47) SLC6A2SLC6A3KMT2ATDP1HDAC8
SCHEMBL8327587 0.80 RXRA (0.49) KMT2ALMNAUSP2PTGER1PTGER4
SCHEMBL8327584 0.80 RXRA (0.49) KMT2ALMNAUSP2PTGER1PTGER4
SCHEMBL8675824 0.76 PTGER1 (0.48) LMNAUSP2HDAC8PTGER1PTGER4
SCHEMBL8677984 0.75 KMT2A (0.49) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL15056730 0.75 CCR5 (0.48) KMT2ALMNAUSP2HDAC8PTGER1
SCHEMBL15056732 0.75 CCR5 (0.48) KMT2ALMNAUSP2HDAC8PTGER1
SCHEMBL4427861 0.75 CCR5 (0.50) LMNAUSP2PTGER1CCR5CCNB2
SCHEMBL849174 0.74 LMNA (0.48) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL849175 0.74 LMNA (0.48) SLC6A2SLC6A3KMT2ATDP1LMNA

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed