SCHEMBL6232640

SCHEMBL6232640

CCCc1c(Br)ccc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PRKCI P41743 1/20 0.38
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
TYR P14679 1/20 0.34
PGAM1 P18669 1/20 0.33
ESR1 P03372 1/20 0.33
IAPP P10997 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL5921665 0.88 HPGD (0.46) ALDH1A1KDM4EHPGDTYRESR1
SCHEMBL28797265 0.85 CNR1 (0.41) CNR1CNR2PRKCIALDH1A1KDM4E
SCHEMBL1798100 0.80 CNR1 (0.37) CNR1CNR2PRKCIALDH1A1KDM4E
SCHEMBL28871536 0.79 CNR1 (0.39) CNR1CNR2PRKCIALDH1A1KDM4E
SCHEMBL5588615 0.77 PRKCI (0.52) CNR1CNR2PRKCITYRIAPP
SCHEMBL5681133 0.77 NOS2 (0.41) CNR1CNR2PRKCIHPGDTYR
SCHEMBL16369630 0.76 DRD4 (0.41) ALDH1A1KDM4EHPGDALOX15
Hydrochloric Acid SCHEMBL21409697 0.75 PRKCI (0.50) CNR1CNR2PRKCITYRIAPP
SCHEMBL21815106 0.75 PRKCI (0.46) CNR1CNR2PRKCITYRIAPP
SCHEMBL5680667 0.75 PRKCI (0.50) CNR1CNR2PRKCIALDH1A1KDM4E

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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed