SCHEMBL9719836

SCHEMBL9719836

CCc1cccc(Oc2ccccc2)c1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
SLC6A4 P31645 4/20 0.50
SLC6A2 P23975 3/20 0.50
RIPK1 Q13546 1/20 0.50
HRH1 P35367 1/20 0.47
SLC6A3 Q01959 2/20 0.45
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL1849156 0.87 GABRA1 (0.67) GABRA1GABRB2SLC6A4SLC6A2SLC6A3
SCHEMBL327806 0.83 SLC6A4 (0.63) SLC6A4SLC6A2RIPK1HRH1SLC6A3
SCHEMBL29060668 0.81 PPARA (0.48) SLC6A4SLC6A2RIPK1HRH1LTA4H
SCHEMBL11128502 0.81 PPARA (0.48) SLC6A4SLC6A2RIPK1HRH1LTA4H
Hydrogen Sulfide SCHEMBL28150140 0.81 SLC6A4 (0.61) SLC6A4SLC6A2RIPK1HRH1SLC6A3
SCHEMBL9780467 0.80 LTA4H (0.52) SLC6A4SLC6A2RIPK1HRH1SLC6A3
SCHEMBL22185409 0.79 SLC6A4 (0.50) SLC6A4SLC6A2RIPK1HRH1SLC6A3
SCHEMBL28156480 0.79 HRH1 (0.51) SLC6A4SLC6A2RIPK1HRH1SLC6A3
SCHEMBL12806081 0.77 GABRA1 (0.64) GABRA1GABRB2KMT2AL3MBTL1ATM
SCHEMBL31200741 0.77 GABRA1 (0.64) GABRA1GABRB2KMT2AL3MBTL1ATM

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
US-5078906-A Organic lithium-potassium complexes for metallization reactions, preparation of aspirin substitutes, fenoprofen MINE SAFETY APPLIANCES COMPANY (US) 1992-01-07 US disclosed
EP-0379987-A2 Process for the preparation of alpha-arylalkanoic acids Mine Safety Appliances Company (US) 1990-08-01 EP disclosed
US-4910337-A Process for the preparation of α-arylalkanoic acids MINE SAFETY APPLIANCES COMPANY (US) 1990-03-20 US disclosed