SCHEMBL8698071

SCHEMBL8698071

O=C(SCc1ccccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
FOLH1 Q04609 1/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6260237 0.76 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2HTR1A
Tibenzate SCHEMBL2110094 0.75 IDO1 (0.52) KMT2ALMNATDP1L3MBTL1SMN1; SMN2
Bicarbonate SCHEMBL27963003 0.74 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL31757965 0.74 CFD (0.68) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL1007508 0.74 CFD (0.68) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8698068 0.74 HTR1A (0.53) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL6258686 0.74 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL3477609 0.73 HTR1A (0.59) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL3980718 0.73 HTR1A (0.59) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL1412911 0.73 HTR1A (0.59) PTGER1PTGER4PTGER3PTGER2HTR1A

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