SCHEMBL5856513

SCHEMBL5856513

CC(C)c1ccccc1C(=O)N[Ti](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30
BCL2 P10415 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5854972 0.90 LMNA (0.32) LMNAKMT2A
SCHEMBL5854701 0.88 KCNK3 (0.31) KCNK3KCNK9LMNAKMT2ABCL2
SCHEMBL5854115 0.86 HPGD (0.36) KMT2A
SCHEMBL5855104 0.83 PPIA (0.32)
SCHEMBL5854049 0.82 LMNA (0.35) LMNAALDH1A1KMT2AMAPT
SCHEMBL5852593 0.81 MEN1 (0.30) ALDH1A1KMT2AMAPT
SCHEMBL5853622 0.80 TAS1R3 (0.36) LMNAKMT2A
SCHEMBL5853062 0.79 LMNA (0.33) LMNAKMT2A
SCHEMBL5852876 0.79 MEN1 (0.34) LMNAKMT2A
SCHEMBL5854229 0.78 SIGMAR1 (0.30) KMT2A

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