SCHEMBL8102562

SCHEMBL8102562

O=C(CBr)CCCCCCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
HDAC1 Q13547 3/20 0.59
ALOX5 P09917 3/20 0.59
HDAC2 Q92769 2/20 0.59
CES1 P23141 4/20 0.57
FAAH O00519 3/20 0.57
HDAC3 O15379 1/20 0.55
MAPK1 P28482 1/20 0.55
ADRA1A P35348 1/20 0.55
HDAC4 P56524 1/20 0.55
SLC6A3 Q01959 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL20378794 1.00 MAPT (0.67) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL12813508 1.00 MAPT (0.67) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL8550929 0.98 MAPT (0.63) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL7076078 0.92 HDAC1 (0.64) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL11137519 0.88 MAPT (0.77) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL1508071 0.88 MAPT (0.77) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL28609434 0.88 MAPT (0.77) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL4886613 0.86 MAPT (0.73) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL9404065 0.85 MAPT (0.71) MAPTRXFP1HDAC1ALOX5HDAC2
SCHEMBL5247648 0.85 MAPT (0.71) MAPTRXFP1HDAC1ALOX5HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO disclosed