SCHEMBL5853722

SCHEMBL5853722

CCCCC(CC)C(=O)N[Ti](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HDAC8 Q9BY41 5/20 0.33
HDAC3 O15379 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
POLB P06746 2/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL5855408 0.89 MEN1 (0.40) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL5855136 0.82 HTT (0.36) MEN1ALDH1A1KMT2AL3MBTL1TSHR
SCHEMBL5853596 0.81 EPHX2 (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5853680 0.80 EPHX2 (0.38) MEN1ALDH1A1KMT2AHDAC8HDAC3
SCHEMBL5854935 0.80 EPHX2 (0.38) MEN1ALDH1A1KMT2AHDAC8HDAC3
SCHEMBL5853240 0.79 ALOX5 (0.33) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL5854229 0.79 SIGMAR1 (0.30) MEN1MAPK1KMT2ATSHR
SCHEMBL5852593 0.78 MEN1 (0.30) MEN1ALDH1A1MAPTKMT2A
SCHEMBL5853118 0.77 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL5854049 0.74 LMNA (0.35) MEN1ALDH1A1MAPTMAPK1KMT2A

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