SCHEMBL10420697

SCHEMBL10420697

CC(CCCBr)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
C3AR1 Q16581 1/20 0.39
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
AOC3 Q16853 1/20 0.34
BRD4 O60885 1/20 0.33
FFAR2 O15552 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
RIPK1 Q13546 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.33
AKT1 P31749 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
SCHEMBL2556787 0.88 ADRB2 (0.46) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL12287009 0.88 ADRB2 (0.46) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL12288154 0.88 ADRB2 (0.46) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL30798706 0.82 ADRB2 (0.45) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL6682986 0.82 SLC6A2 (0.45) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL6686877 0.80 SLC6A2 (0.47) ADRB2C3AR1SLC6A2SLC6A3SLC6A4
SCHEMBL1044614 0.80 ADRB2 (0.43) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL1044613 0.80 ADRB2 (0.43) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL12908530 0.80 ADRB2 (0.43) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL11566936 0.80 ADRB2 (0.48) ADRB2C3AR1TSHRSLC6A2SLC6A3

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-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed