SCHEMBL8707754

SCHEMBL8707754

CCCCCCCCOc1cc(OC)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
SMPD1 P17405 3/20 0.45
NR5A1 Q13285 1/20 0.45
THRA P10827 3/20 0.44
THRB P10828 3/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
AHR P35869 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL27810349 0.95 AHR (0.45) CYSLTR2CYSLTR1AHRHDAC8TSHR
SCHEMBL15641111 0.90 NR5A1 (0.51) SMPD1NR5A1THRATHRBTSHR
SCHEMBL15859141 0.90 NR5A1 (0.51) SMPD1NR5A1THRATHRBTSHR
SCHEMBL15859489 0.90 NR5A1 (0.51) SMPD1NR5A1THRATHRBTSHR
SCHEMBL4697918 0.88 MTNR1A (0.44) HDAC8TP53
SCHEMBL25284645 0.87 HDAC8 (0.41) CYSLTR2CYSLTR1SMPD1HDAC8
SCHEMBL8361618 0.84 CA12 (0.44) NR5A1THRATHRBTSHR
SCHEMBL31583912 0.83 PTPN1 (0.49) HDAC8
SCHEMBL2497117 0.83 L3MBTL1 (0.51) CYSLTR2CYSLTR1THRATHRBAHR
SCHEMBL3222619 0.81 CYSLTR2 (0.50) CYSLTR2CYSLTR1SMPD1NR5A1THRA

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-5849732-A Phenol compound having antioxidative activity and the process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-12-15 US disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP disclosed