SCHEMBL9207293

SCHEMBL9207293

OC1=Cc2ccc(Br)cc2/C=C\c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
PTPN22 Q9Y2R2 2/20 0.32
ALOX15 P16050 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9207295 1.00 PTPRC (0.34) PTPRCKDM4EALDH1A1MAPTHPGD
SCHEMBL9205323 0.93 PTPRC (0.34) PTPRCKDM4EALDH1A1MAPTHPGD
SCHEMBL9205329 0.93 PTPRC (0.34) PTPRCKDM4EALDH1A1MAPTHPGD
SCHEMBL9206728 0.88 PTPRC (0.35) PTPRCKDM4EMAPTHPGDALOX15
SCHEMBL9206731 0.88 PTPRC (0.35) PTPRCKDM4EMAPTHPGDALOX15
SCHEMBL9203655 0.88 PTPRC (0.35) PTPRCALOX15PDK2CYP2A6GSTA1
SCHEMBL9203647 0.88 PTPRC (0.35) PTPRCALOX15PDK2CYP2A6GSTA1
SCHEMBL9207972 0.81 GPR84 (0.42) PTPRCKDM4EALDH1A1MAPTHPGD
SCHEMBL9207977 0.81 GPR84 (0.42) PTPRCKDM4EALDH1A1MAPTHPGD
SCHEMBL9210375 0.79 GPR3 (0.37) PTPRCKDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319073-B1 Cyclo-octane neuroprotective agents MERCK SHARP & DOHME (GB) 1995-08-23 EP disclosed
US-4927819-A ANTICONVULSANT, PREVENTION OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LIMITED (GB) 1990-05-22 US disclosed
EP-0319073-A2 Cyclo-octane neuroprotective agents MERCK SHARP & DOHME LTD. (GB) 1989-06-07 EP disclosed