SCHEMBL5854766

SCHEMBL5854766

O=C(N[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](c1ccccc1)c1ccccc1)C1CCCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 3/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
ADORA2A P29274 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL5854870 1.00 HPGD (0.39) HPGDCYP2C19NPC1RAB9AADORA1
SCHEMBL5853516 0.99 HPGD (0.37) HPGDCYP2C19NPC1RAB9AADORA1
SCHEMBL5854780 0.88 NPC1 (0.39) HPGDCYP2C19NPC1RAB9AGAA
SCHEMBL5855675 0.88 NPC1 (0.39) HPGDCYP2C19NPC1RAB9AGAA
SCHEMBL5852838 0.86 NPC1 (0.40) HPGDCYP2C19NPC1RAB9AALDH1A1
SCHEMBL5855645 0.83 RAB9A (0.48) NPC1RAB9AALDH1A1KDM4E
SCHEMBL5852571 0.82 NPC1 (0.39) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL6833793 0.82 PNMT (0.32) NPC1RAB9AALDH1A1LMNA
SCHEMBL5853420 0.80 RAB9A (0.40) CYP2C19NPC1RAB9AGAAALDH1A1
SCHEMBL5856940 0.80 RAB9A (0.40) NPC1RAB9AKDM4ELMNA

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