SCHEMBL8601609

SCHEMBL8601609

CCCc1cc(CCC)c2c(c1)O[B]O2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.30
TRPA1 O75762 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPV3 Q8NET8 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
TRPV2 Q9Y5S1 1/20 0.30

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
SCHEMBL8557291 0.93 ALDH1A1 (0.39) ALDH1A1CYP3A4ALOX5TRPA1CNR1
SCHEMBL8519251 0.76 MTNR1A (0.34)
SCHEMBL8518555 0.74 CNR1 (0.42) ALDH1A1CYP3A4ALOX5CNR1CNR2
SCHEMBL8600153 0.73 PRKCI (0.33)
SCHEMBL8601604 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4TRPA1CNR1CNR2
SCHEMBL8520143 0.70
SCHEMBL11355625 0.68 HTT (0.37) ALDH1A1CYP3A4TSHRALOX5CNR1
SCHEMBL11684526 0.68 HPGD (0.37) ALDH1A1CYP3A4ALOX5CNR1CNR2
SCHEMBL8557289 0.67 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX5TRPA1CNR1
SCHEMBL26113185 0.67 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHR

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-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