SCHEMBL5853944

SCHEMBL5853944

CC(C)(C)c1cccc(C(=O)N[Ti](Cl)(Cl)(c2cccc3c2Cc2ccccc2-3)[SiH](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.37
NR1H4 Q96RI1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACHE P22303 3/20 0.33
KCNK9 Q9NPC2 1/20 0.33
CTSL P07711 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SRD5A2 P31213 1/20 0.31
NAMPT P43490 1/20 0.31
BRAF P15056 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
SCHEMBL5853371 0.90 MAPK14 (0.38) MAPK14NR1H4NPC1RAB9AHDAC8
SCHEMBL5853729 0.88 NPC1 (0.40) MAPK14NPC1RAB9AALDH1A1LMNA
SCHEMBL5856505 0.87 SMN1; SMN2 (0.41) MAPK14NPC1RAB9AHDAC8HDAC6
SCHEMBL5852784 0.84 RAB9A (0.38) NPC1RAB9AALDH1A1LMNADRD2
SCHEMBL5852965 0.83 NPC1 (0.37) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5854924 0.82 NPC1 (0.41) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5855562 0.81 RAB9A (0.49) NPC1RAB9AALDH1A1DRD2DRD4
SCHEMBL5853673 0.80 RAB9A (0.39) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5852832 0.80 RAB9A (0.37) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5852744 0.80 RAB9A (0.42) MAPK14NPC1RAB9AALDH1A1LMNA

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