SCHEMBL8914345

SCHEMBL8914345

C=CCCc1ccc(C(=O)Oc2ccc(OCCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 3/20 0.49
CYP2C9 P11712 2/20 0.49
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
THRB P10828 3/20 0.49
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 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
SCHEMBL8914072 0.95 LMNA (0.55) MAPTSMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL8912271 0.91 NPC1 (0.60) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL8913348 0.89 THRB (0.61) MAPTSMN1; SMN2KMT2ANPC1PRSS1
SCHEMBL18540053 0.88 THRB (0.49) MAPTSMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL8912079 0.87 MAPT (0.60) MAPTSMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL8912760 0.87 THRB (0.58) MAPTSMN1; SMN2LMNAKMT2ACYP1A2
SCHEMBL11758965 0.86 MAPT (0.73) MAPTSMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL11674876 0.86 MAPT (0.73) MAPTSMN1; SMN2LMNAL3MBTL1KMT2A
SCHEMBL18540075 0.86 THRB (0.47) MAPTSMN1; SMN2L3MBTL1KMT2ANPC1
SCHEMBL1925571 0.85 THRB (0.57) MAPTSMN1; SMN2LMNAL3MBTL1KMT2A

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