SCHEMBL5853516

SCHEMBL5853516

O=C(N[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](c1ccccc1)c1ccccc1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 5/20 0.34
ADORA2A P29274 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NAMPT P43490 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 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
SCHEMBL5854766 0.99 HPGD (0.39) HPGDNPC1RAB9AADORA1ADORA2A
SCHEMBL5854870 0.99 HPGD (0.39) HPGDNPC1RAB9AADORA1ADORA2A
SCHEMBL5852838 0.87 NPC1 (0.40) HPGDNPC1RAB9ACYP2C19ALDH1A1
SCHEMBL5854780 0.86 NPC1 (0.39) HPGDNPC1RAB9ACYP2C19ALDH1A1
SCHEMBL5855675 0.86 NPC1 (0.39) HPGDNPC1RAB9ACYP2C19ALDH1A1
SCHEMBL5855645 0.84 RAB9A (0.48) NPC1RAB9AALDH1A1HTR7HTR2B
SCHEMBL5852571 0.83 NPC1 (0.39) HPGDNPC1RAB9AALDH1A1LMNA
SCHEMBL5853420 0.81 RAB9A (0.40) NPC1RAB9ACYP2C19ALDH1A1GAA
SCHEMBL5856940 0.81 RAB9A (0.40) NPC1RAB9ALMNAHTR7HTR2B
SCHEMBL6833793 0.81 PNMT (0.32) NPC1RAB9AALDH1A1LMNA

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-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed