SCHEMBL8567299

SCHEMBL8567299

CCCCCCOc1cc(-c2ccccc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
LTA4H P09960 1/20 0.42
PTPN1 P18031 2/20 0.41
RARB P10826 3/20 0.40
TSHR P16473 1/20 0.40
PTPN11 Q06124 4/20 0.39
CNR2 P34972 1/20 0.39
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL8572192 0.94 LTA4H (0.43) SOAT1LTA4HPTPN1ATP4AATP4B
SCHEMBL15503241 0.78 RARB (0.50) LTA4HRARBTSHRATP4AATP4B
SCHEMBL9453080 0.76 NR5A1 (0.39) LTA4HTSHRESR1
SCHEMBL10414226 0.76 NR5A1 (0.39) LTA4HTSHRESR1
SCHEMBL30179464 0.74 CYP11B1 (0.42) RARBCNR2CNR1KCNH2
SCHEMBL21391973 0.74 CYP11B1 (0.42) RARBCNR2CNR1KCNH2
Biphenyl SCHEMBL2989570 0.74 LTA4H (0.50) SOAT1LTA4HPTPN1RARBTSHR
Biphenyl SCHEMBL15361572 0.74 LTA4H (0.50) SOAT1LTA4HPTPN1RARBTSHR
Biphenyl SCHEMBL7863473 0.74 LTA4H (0.50) SOAT1LTA4HPTPN1RARBTSHR
Biphenyl SCHEMBL2991687 0.74 LTA4H (0.50) SOAT1LTA4HPTPN1RARBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843951-A Analgesic composition of pyrazolo(1,5-A) pyrimidines OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1998-12-01 US disclosed
EP-0795555-A1 ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-09-17 EP disclosed