SCHEMBL8983371

SCHEMBL8983371

C=C(c1ccccc1)c1ccc(CBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.64
CES1 P23141 2/20 0.64
TRPA1 O75762 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PTPN1 P18031 2/20 0.40
GSK3B P49841 2/20 0.40
SNCA P37840 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL68718 0.82 CES2 (0.69) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL14756543 0.82 CES2 (0.69) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL68719 0.82 CES2 (0.69) CES2CES1TRPA1ALDH1A1TSHR
SCHEMBL8733948 0.82 MEN1 (0.52) CES2CES1MEN1KMT2AMAPT
SCHEMBL8887219 0.81 GSK3B (0.45) CES2CES1ALDH1A1TSHRMAPT
SCHEMBL894135 0.81 MEN1 (0.65) CES2CES1ALDH1A1TSHRMEN1
SCHEMBL3116481 0.80 HDAC1 (0.45) CES2CES1MEN1KMT2AMAPT
SCHEMBL537537 0.80 TDP1 (0.43) CES2CES1MEN1KMT2AMAOB
SCHEMBL9806315 0.80 LMNA (0.55) CES2CES1TSHRMEN1KMT2A
SCHEMBL9806373 0.80 HDAC1 (0.52) ALDH1A1MEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 US disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 WO disclosed
US-5112851-A Agricultural Fungicides SANDOZ LTD. (CH) 1992-05-12 US disclosed
US-4939148-A Amine derivatives, processes for their production and their use SANDOZ, LTD. (CH) 1990-07-03 US disclosed