SCHEMBL8914028

SCHEMBL8914028

CCCCCc1ccc(-c2ccccc2)cc1.C[Si](C)(C)CCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
RARA P10276 1/20 0.62
MAPT P10636 1/20 0.62
MTOR P42345 1/20 0.62
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 2/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8912214 0.97 RARB (0.65) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8913221 0.87 RARB (0.58) RARBMEN1KMT2AALDH1A1RARA
Terephthalic Acid SCHEMBL9509928 0.83 RARB (0.91) RARBTP53TSHRPLA2G4B
Biphenyl SCHEMBL10535047 0.81 RARB (0.88) RARBTP53TSHRPLA2G4B
SCHEMBL8080655 0.81 RARB (0.76) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9625115 0.80 RARB (0.58) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8142660 0.80 TP53 (0.82) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8913373 0.80 MMP2 (0.54) RARBALDH1A1MAPTTP53TSHR
SCHEMBL8914026 0.80 PTPN11 (0.54) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL3074389 0.80 RARB (0.97) RARBTP53TSHRPLA2G4B

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