SCHEMBL8913373

SCHEMBL8913373

C[Si](C)(C)CCCOc1ccc(C(=O)O)cc1.N#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.54
RARB P10826 5/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.51
MMP3 P08254 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PTGER4 P35408 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL8913738 0.95 RARB (0.57) MMP2RARBALDH1A1MAPTPKM
SCHEMBL8913518 0.95 RARB (0.57) MMP2RARBALDH1A1MAPTPKM
SCHEMBL5088870 0.89 RARB (0.68) MMP2RARBALDH1A1MAPTPKM
SCHEMBL16415752 0.83 TSHR (0.65) RARBALDH1A1PKMTP53TSHR
SCHEMBL9304204 0.81 MAPT (0.56) MMP2ALDH1A1MAPTTP53TSHR
SCHEMBL8913562 0.80 MMP2 (0.51) MMP2RARBALDH1A1MAPTMMP3
SCHEMBL8914028 0.80 RARB (0.64) RARBALDH1A1MAPTTP53TSHR
SCHEMBL1493893 0.79 POLB (0.61) MMP2RARBALDH1A1MAPTPKM
SCHEMBL1494070 0.78 THRB (0.60) MMP2RARBALDH1A1MAPTPKM
SCHEMBL8912717 0.78 MAPT (0.55) ALDH1A1MAPTMMP3HDAC1HDAC2

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