SCHEMBL9650328

SCHEMBL9650328

C=CCOC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
MAOB P27338 1/20 0.57
PARP10 Q53GL7 1/20 0.57
SRD5A2 P31213 1/20 0.56
PLA2G4B P0C869 1/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KMT2A Q03164 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.51
CHRNB2 P17787 1/20 0.51

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
SCHEMBL2003319 0.89 KMT2A (0.61) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL9651187 0.89 MEN1 (0.57) NR4A2MAOBPARP10SLC6A2SLC6A3
SCHEMBL9779551 0.88 ALOX5 (0.52) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL17769232 0.88 KMT2A (0.69) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL1080750 0.85 NR4A1 (0.56) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL50807 0.85 KMT2A (0.73) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL9574756 0.83 KMT2A (0.71) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL8679747 0.83 HTT (0.49) NR4A1NR4A2NR4A3PLA2G4BSLC6A2
SCHEMBL19892096 0.83 ADRB2 (0.59) ADRB2ADRB1ADRB3KMT2ANPC1
SCHEMBL11054303 0.82 SMN1; SMN2 (0.60) PARP10SRD5A2KMT2ALMNARAB9A

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-5167861-A Tristable phase; high speed of response SHOWA SHELL SEKIYU K.K. (JP) 1992-12-01 US disclosed
EP-0350330-B1 LIQUID CRYSTAL COMPOUNDS Showa Shell Sekiyu Kabushiki Kaisha (JP) 1992-11-11 EP disclosed
EP-0350330-A2 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1990-01-10 EP disclosed