SCHEMBL5855075

SCHEMBL5855075

C[SiH](C)[Ti](Cl)(Cl)(NC(=O)c1cccc(C(C)(C)C)c1)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.38
HDAC6 Q9UBN7 3/20 0.38
NR1H4 Q96RI1 1/20 0.36
ACHE P22303 3/20 0.36
BRAF P15056 1/20 0.34
KCNK9 Q9NPC2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.32
HDAC3 O15379 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
KCNK3 O14649 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL5853896 0.89 NR1H4 (0.36) HDAC8HDAC6NR1H4ACHEBRAF
SCHEMBL5853695 0.86 SMN1; SMN2 (0.41) HDAC8HDAC6KCNK9MEN1KMT2A
SCHEMBL5854049 0.86 LMNA (0.35) HDAC8HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL5852876 0.82 MEN1 (0.34) MEN1KMT2ALMNA
SCHEMBL5855104 0.80 PPIA (0.32)
SCHEMBL5853118 0.79 ALDH1A1 (0.31) GAA
SCHEMBL5853622 0.78 TAS1R3 (0.36) MEN1KMT2ALMNA
SCHEMBL5852593 0.78 MEN1 (0.30) MEN1KMT2A
SCHEMBL5856520 0.77 KMT2A (0.34) MEN1KMT2ALMNA
SCHEMBL5854115 0.76 HPGD (0.36) MEN1KMT2ASMN1; 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