SCHEMBL5854014

SCHEMBL5854014

Cc1ccccc1C(=O)N[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
HPGD P15428 1/20 0.34
HSP90AA1 P07900 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
F2R P25116 1/20 0.32
DHODH Q02127 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 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
SCHEMBL5854704 0.90 RAB9A (0.41) NPC1RAB9AHTR7HTR2BMEN1
SCHEMBL5855373 0.89 NPC1 (0.39) NPC1RAB9AHTR7HTR2BMEN1
SCHEMBL5855528 0.87 RAB9A (0.39) NPC1RAB9AHTR7HTR2BKMT2A
SCHEMBL5853980 0.86 NPC1 (0.38) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5852744 0.85 RAB9A (0.42) NPC1RAB9AHTR7HTR2BMEN1
SCHEMBL5852362 0.85 RAB9A (0.39) NPC1RAB9AHTR7HTR2BMEN1
SCHEMBL5856710 0.84 RAB9A (0.51) NPC1RAB9AHTR7HTR2BMEN1
SCHEMBL5854722 0.84 RAB9A (0.39) NPC1RAB9AHTR7HTR2BMEN1
SCHEMBL5855448 0.83 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5855782 0.81 NPC1 (0.42) NPC1RAB9AHTR7HTR2BMEN1

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