SCHEMBL5603052

SCHEMBL5603052

CCCc1ccc2c(c1CCC)[N]c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ELANE P08246 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSG P08311 1/20 0.33
PDK2 Q15119 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
SCHEMBL5602936 0.88 ELANE (0.35) ELANECTSG
SCHEMBL5603548 0.86 GPR3 (0.38) ELANECTSG
SCHEMBL5600551 0.85 GPR3 (0.40) KDM4EALDH1A1GAAHPGDELANE
SCHEMBL5600733 0.84 NOS2 (0.37) KDM4EALDH1A1GAAHPGD
SCHEMBL5602856 0.81 LMNA (0.33) ALDH1A1
SCHEMBL5602181 0.81 PPARA (0.33) KDM4EALDH1A1GAAHPGDELANE
SCHEMBL5602143 0.76 HSD11B1 (0.32) KDM4EALDH1A1HPGD
SCHEMBL5600040 0.75 KDM4E (0.33) KDM4EALDH1A1GAAHPGD
SCHEMBL5601844 0.75 GPR3 (0.35)
SCHEMBL5601851 0.74 GPR3 (0.38)

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