SCHEMBL8913388

SCHEMBL8913388

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.61
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 3/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PRSS1 P07477 3/20 0.46
ACR P10323 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 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
SCHEMBL8913253 0.92 THRB (0.58) THRBMAPTSMN1; SMN2KMT2ACYP3A4
SCHEMBL9297822 0.89 CYP3A4 (0.52) THRBMAPTSMN1; SMN2KMT2ACYP3A4
SCHEMBL8913348 0.89 THRB (0.61) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL30354554 0.88 THRB (0.62) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL10633416 0.88 THRB (0.62) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL3613955 0.87 THRB (0.82) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL8913584 0.86 THRB (0.58) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL9303320 0.86 THRB (0.58) THRBMAPTSMN1; SMN2KMT2APLA2G1B
SCHEMBL8914596 0.86 LMNA (0.58) THRBMAPTSMN1; SMN2KMT2ACYP3A4
SCHEMBL8912079 0.86 MAPT (0.60) THRBMAPTSMN1; SMN2KMT2ACYP3A4

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