SCHEMBL9303320

SCHEMBL9303320

C=CCOc1ccc(C(=O)Oc2ccc(CCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.58
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
KMT2A Q03164 4/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL8851291 0.90 MAPT (0.52) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9193043 0.90 THRB (0.60) THRBMAPTSMN1; SMN2NPC1PRSS1
SCHEMBL8026374 0.87 NPC1 (0.52) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL7619158 0.87 NPC1 (0.52) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL8913388 0.86 THRB (0.61) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8913348 0.86 THRB (0.61) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8850790 0.86 LMNA (0.53) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8962712 0.86 LMNA (0.60) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL30354554 0.85 THRB (0.62) THRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10633416 0.85 THRB (0.62) THRBMAPTSMN1; SMN2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed