SCHEMBL5855151

SCHEMBL5855151

CC(C)c1ccccc1C(=O)N[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.35
HTR7 P34969 1/20 0.35
HSP90AA1 P07900 2/20 0.34
PPARG P37231 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
KCNK3 O14649 3/20 0.32
KCNK9 Q9NPC2 3/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2 P10415 1/20 0.32
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL5856462 0.92 RAB9A (0.37) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5855528 0.90 RAB9A (0.39) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5855373 0.88 NPC1 (0.39) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5852965 0.85 NPC1 (0.37) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5853729 0.84 NPC1 (0.40) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5855562 0.83 RAB9A (0.49) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5853673 0.82 RAB9A (0.39) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5854105 0.82 RAB9A (0.39) RAB9ANPC1HTR2BHTR7LMNA
SCHEMBL5852784 0.81 RAB9A (0.38) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5853562 0.80 RAB9A (0.41) RAB9ANPC1DRD2DRD4DRD3

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