SCHEMBL8913231

SCHEMBL8913231

C=CCCCCc1ccc(C(=O)Oc2ccc(CCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.57
THRA P10827 7/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PLA2G1B P04054 2/20 0.47
ATG4B Q9Y4P1 2/20 0.47
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL8913584 0.96 THRB (0.58) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8911968 0.95 THRB (0.60) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL10798412 0.92 THRB (0.64) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL10799184 0.92 THRB (0.64) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8923657 0.91 THRB (0.58) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8913348 0.91 THRB (0.61) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL9304788 0.90 MAPT (0.52) THRBMAPTSMN1; SMN2KMT2APRSS1
SCHEMBL1925571 0.89 THRB (0.57) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8913503 0.88 NPC1 (0.58) THRBTHRAMAPTSMN1; SMN2KMT2A
SCHEMBL8912760 0.88 THRB (0.58) THRBTHRAMAPTSMN1; SMN2KMT2A

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