SCHEMBL8885877

SCHEMBL8885877

BrCc1ccc(C2=CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.44
PTGS2 P35354 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC3 O15379 2/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PSMB5 P28074 4/20 0.35
CTSC P53634 1/20 0.33

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
SCHEMBL10793933 0.84 ACMSD (0.53) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL11862219 0.79 ACMSD (0.47) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL18724371 0.79 ACMSD (0.44) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL11857252 0.79 ACMSD (0.44) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL1773230 0.78 HTR2C (0.48) ACMSDPTGS2HDAC1HDAC2HDAC3
SCHEMBL676296 0.78 ACMSD (0.42) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL9343204 0.77 HTR2C (0.47) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL9806363 0.76 CALM1 (0.46) ACMSDPTGS2ALDH1A1MEN1KMT2A
SCHEMBL18905499 0.76 ACMSD (0.41) ACMSDPTGS2KCNH2HRH3HDAC1
SCHEMBL625953 0.76 MAOB (0.46) ACMSDALDH1A1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5596020-A Amino bi- and tri-carbocyclic alkane bis-aryl squalene synthase inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-01-21 US disclosed
US-5561143-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
US-5534532-A ANTICHOLESTEROL AGENTS, SQUALENE SYNTHASE INHIBITOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
US-5455260-A Anticholesterol agents; reduction of serum cholesterol without reducing mevalonic metabolite synthesis; side effect RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
US-5395846-A Amino Bi- and tri-carbocyclic aklane bis-aryl squalene synthase inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-03-07 US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 US disclosed
WO-1995000146-A1 AMINO BI- AND TRI-CARBOCYCLIC ALKANE BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 WO disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 WO disclosed