SCHEMBL5853896

SCHEMBL5853896

CC(C)(C)c1cccc(C(=O)N[Ti](Cl)(Cl)(C2C=Cc3ccccc32)[SiH](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ACHE P22303 3/20 0.34
KCNK9 Q9NPC2 1/20 0.34
CTSL P07711 3/20 0.33
BRAF P15056 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL5855075 0.89 HDAC8 (0.38) NR1H4HDAC8HDAC6ACHEKCNK9
SCHEMBL5853488 0.87 SMN1; SMN2 (0.41) HDAC8HDAC6KCNK9LMNAMEN1
SCHEMBL5853329 0.87 ATM (0.32) HDAC8HDAC6LMNAMEN1KMT2A
SCHEMBL5855538 0.83 POLB (0.33) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5855439 0.81 ITGB1 (0.31)
SCHEMBL5852661 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5852797 0.80 TAS1R3 (0.34)
SCHEMBL5854622 0.79 MEN1 (0.31) MEN1KMT2AALDH1A1
SCHEMBL5853405 0.78 KMT2A (0.32) LMNAMEN1KMT2A
SCHEMBL5853922 0.78 HPGD (0.36) KCNK9SMN1; SMN2NPC1ALDH1A1RAB9A

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