SCHEMBL7194553

SCHEMBL7194553

Cc1cc(C)c([Si](O[PH](=O)O)(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TPMT P51580 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
C1S P09871 1/20 0.30
PRSS3 P35030 1/20 0.30
ACHE P22303 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
SCHEMBL4705071 0.83 KDM4E (0.31) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2199664 0.64 CA1 (0.37) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL7195553 0.64 TPMT (0.31) TPMTCA1CA2MMP1MMP2
SCHEMBL28393329 0.64 CYP3A4 (0.35) ALDH1A1KDM4ELMNAMAPTACHE
SCHEMBL1686911 0.63 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL2941823 0.63 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL1686721 0.63 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL27469321 0.63 ALDH1A1 (0.33) ALDH1A1KDM4ETPMT
Phosphonic Acid SCHEMBL28609038 0.63 KDM4E (0.40) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL18221768 0.61 RAPGEF4 (0.38) ALDH1A1KDM4ELMNAGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627712-B2 Reaction product of an iron-containing compound, a silyl phosphonate, and an organoaluminum compound to polymerize 1,3-butadiene into syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2003-09-30 US claimed
US-20020156210-A1 Manufacture of conjugated diene polymers by using an iron-based catalyst composition BRIDGESTONE CORP. 2002-10-24 US claimed
US-6627712-B2 Reaction product of an iron-containing compound, a silyl phosphonate, and an organoaluminum compound to polymerize 1,3-butadiene into syndiotactic 1,2-polybutadiene BRIDGESTONE CORPORATION (JP) 2003-09-30 US disclosed
US-20020156210-A1 Manufacture of conjugated diene polymers by using an iron-based catalyst composition BRIDGESTONE CORP. 2002-10-24 US disclosed