SCHEMBL5853480

SCHEMBL5853480

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PNMT P11086 1/20 0.35
HTR2B P41595 2/20 0.35
HTR7 P34969 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL5854802 0.92 NPC1 (0.44) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL5853459 0.90 NPC1 (0.40) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL5855017 0.89 GAA (0.43) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL5854088 0.89 GAA (0.43) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL5853949 0.89 GAA (0.43) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL5853562 0.89 RAB9A (0.41) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL5856710 0.87 RAB9A (0.51) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL5855782 0.84 NPC1 (0.42) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL5852744 0.84 RAB9A (0.42) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL5853920 0.82 L3MBTL1 (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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