SCHEMBL8518550

SCHEMBL8518550

CCCc1ccc2c(c1)OBO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
TAAR1 Q96RJ0 3/20 0.35
ALOX5 P09917 1/20 0.34
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 1/20 0.33
CA2 P00918 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8519607 0.83 PARP1 (0.42) TAAR1ALDH1A1TRPA1SLC6A2SLC6A4
SCHEMBL9589157 0.74 ALOX15 (0.50) CNR1CNR2LPLLIPGTAAR1
SCHEMBL28568044 0.73 CNR1 (0.44) CNR1CNR2LPLLIPGTAAR1
SCHEMBL8601604 0.73 ALDH1A1 (0.45) CNR1CNR2ALDH1A1CYP3A4TRPA1
SCHEMBL8190055 0.73 CNR1 (0.40) CNR1CNR2LPLLIPGTAAR1
SCHEMBL8367478 0.73 CNR1 (0.40) CNR1CNR2LPLLIPGPDK2
SCHEMBL10911819 0.73 CNR1 (0.40) CNR1CNR2LPLLIPGTAAR1
SCHEMBL8518555 0.72 CNR1 (0.42) CNR1CNR2LPLLIPGTAAR1
SCHEMBL429483 0.72 TAAR1 (0.67) TAAR1ALDH1A1CYP3A4SLC6A2SLC6A4
SCHEMBL8255914 0.72 TAAR1 (0.52) TAAR1ALDH1A1

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
EP-0679662-B1 Catalyst component for the polymerization of olefins NIPPON OIL CO LTD (JP) 1999-07-14 EP disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed