SCHEMBL8913562

SCHEMBL8913562

C[Si](C)(C)CCCOc1ccc(C(=O)O)c(-c2ccc(-c3ccc(C#N)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
PTGER4 P35408 1/20 0.47
MMP3 P08254 4/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAP4K4 O95819 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8913735 0.96 HDAC1 (0.49) MMP2PTGER4MMP3HDAC1HDAC2
SCHEMBL8913516 0.96 HDAC1 (0.49) MMP2PTGER4MMP3HDAC1HDAC2
SCHEMBL9191657 0.93 MMP2 (0.49) MMP2PTGER4MMP3HDAC1HDAC2
SCHEMBL8916127 0.91 MMP2 (0.46) MMP2PTGER4MMP3HDAC1HDAC2
SCHEMBL9194173 0.90 MMP2 (0.46) MMP2PTGER4MMP3HDAC1HDAC2
SCHEMBL8915948 0.87 HDAC1 (0.45) MMP2PTGER4MMP3HDAC1HDAC2
SCHEMBL11682169 0.86 PTPN11 (0.59) MMP2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11684568 0.85 PTPN11 (0.61) ALDH1A1KDM4EPTPN11RARARARB
SCHEMBL10338851 0.85 PTPN11 (0.61) ALDH1A1KDM4EPTPN11RARARARB
SCHEMBL11682474 0.85 PTPN11 (0.61) ALDH1A1KDM4EPTPN11RARARARB

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-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed