SCHEMBL8912079

SCHEMBL8912079

C=CCc1ccc(C(=O)Oc2ccc(OCCC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 5/20 0.53
KMT2A Q03164 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
THRB P10828 2/20 0.49
PLK1 P53350 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL8914596 0.95 LMNA (0.58) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL8912396 0.91 SMN1; SMN2 (0.63) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL9297822 0.87 CYP3A4 (0.52) MAPTSMN1; SMN2KMT2AL3MBTL1CYP3A4
SCHEMBL8914345 0.87 MAPT (0.58) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL8850790 0.86 LMNA (0.53) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL8913388 0.86 THRB (0.61) MAPTSMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL11673338 0.86 MAPT (0.64) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL9905870 0.85 LMNA (0.65) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL17515627 0.85 LMNA (0.65) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL8077529 0.84 SMN1; SMN2 (0.60) MAPTSMN1; SMN2LMNAKMT2ACYP2C19

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