SCHEMBL7535913

SCHEMBL7535913

COC(=O)CCc1ccc(OC)cc1CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MTNR1A P48039 4/20 0.45
MTNR1B P49286 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 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
SCHEMBL20232424 0.88 POLB (0.53) POLBMTNR1AMTNR1BALDH1A1HTT
SCHEMBL7535383 0.87 MTNR1B (0.42) POLBMTNR1AMTNR1BHSD17B10KMT2A
SCHEMBL7529182 0.86 POLB (0.51) POLBMTNR1AMTNR1BALDH1A1HTT
SCHEMBL7536195 0.84 ELANE (0.42) ALDH1A1HTTLMNAMAPTHSD17B10
SCHEMBL16294203 0.83 POLB (0.48) POLBMTNR1AMTNR1BALDH1A1HTT
SCHEMBL64208 0.81 MTNR1A (0.61) MTNR1AMTNR1BHSD17B10KMT2ARAB9A
SCHEMBL585472 0.81 APLNR (0.56) POLBALDH1A1KMT2ANPC1RAB9A
SCHEMBL1924061 0.81 POLB (0.56) POLBALDH1A1HTTLMNAMAPT
SCHEMBL12870781 0.81 ALDH1A1 (0.51) POLBMTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL63388 0.81 KMT2A (0.55) POLBMTNR1AALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP disclosed
US-5571506-A AROMATIC ALDEHYDE OLIGOMERS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, BONE METABOLISM, ANTILIPEMIC AGENTS AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
EP-0585371-A4 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INT (US) 1994-07-13 EP disclosed
EP-0585371-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-09 EP disclosed
WO-1992020350-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed