SCHEMBL5854050

SCHEMBL5854050

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.35
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
OPRM1 P35372 2/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MAPT P10636 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
SCHEMBL5855923 0.99 HPGD (0.37) NPC1RAB9AHPGDCYP2C19ALDH1A1
SCHEMBL5853361 0.99 HPGD (0.37) NPC1RAB9AHPGDCYP2C19ALDH1A1
SCHEMBL5852882 0.88 NPC1 (0.40) NPC1RAB9AHPGDCYP2C19ALDH1A1
SCHEMBL5853698 0.87 NPC1 (0.39) NPC1RAB9AHPGDCYP2C19ALDH1A1
SCHEMBL5856430 0.87 NPC1 (0.39) NPC1RAB9AHPGDCYP2C19ALDH1A1
SCHEMBL5855562 0.83 RAB9A (0.49) NPC1RAB9AALDH1A1HTR7HTR2B
SCHEMBL5853729 0.82 NPC1 (0.40) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL5854924 0.81 NPC1 (0.41) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5853562 0.81 RAB9A (0.41) NPC1RAB9ACYP2C19ALDH1A1LMNA
SCHEMBL5853227 0.80 NPC1 (0.42) NPC1RAB9AHPGDALDH1A1LMNA

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