SCHEMBL5601413

SCHEMBL5601413

CCCCCCCc1c(C)ccc2c1[N]c1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.38
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TLR8 Q9NR97 4/20 0.34

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
SCHEMBL5603212 1.00 CYP1A1 (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5603940 1.00 CYP1A1 (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5602382 1.00 CYP1A1 (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5600729 1.00 CYP1A1 (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5599911 1.00 CYP1A1 (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5601549 1.00 CYP1A1 (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5602904 0.99 CYP1A1 (0.36) CYP1A1KCNH2HSD17B10KDM4EALDH1A1
SCHEMBL5601456 0.94 CYP1A1 (0.35) CYP1A1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL5601526 0.90 NOS2 (0.35) KDM4EALDH1A1HPGD
SCHEMBL5603187 0.88 LIPG (0.38) CYP1A1KCNH2HSD17B10KDM4EALDH1A1

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed