SCHEMBL9075485

SCHEMBL9075485

O=C(O)Cc1cc(Br)cc(Br)c1OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
THRB P10828 8/20 0.46
THRA P10827 7/20 0.46
FFAR1 O14842 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL9077930 0.85 MCHR1 (0.52) MCHR1THRBTHRAMEN1KMT2A
SCHEMBL8733926 0.80 HTR2C (0.50) MEN1KMT2AALOX5PPARG
Oxalic Acid SCHEMBL9077421 0.78
SCHEMBL8420618 0.77 HTR2C (0.50) FFAR1MEN1KMT2A
SCHEMBL9075917 0.76 CHRM1 (0.45) FFAR1MEN1KMT2AALOX5PPARG
SCHEMBL16050401 0.74 THRB (0.50) MCHR1THRBTHRAMEN1KMT2A
SCHEMBL9077423 0.74 SIGMAR1 (0.42) MCHR1ALOX5PPARG
SCHEMBL9077270 0.73 PTGDR2 (0.49) FFAR1MEN1KMT2A
SCHEMBL9078345 0.72 CXCL8 (0.49) FFAR1AKR1B1ALOX5PPARG
SCHEMBL8734857 0.70 FFAR1 (0.54) THRBTHRAFFAR1MEN1KMT2A

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-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed