SCHEMBL9517524

SCHEMBL9517524

COc1ccc(C2(CBr)OCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL3900022 0.93 MAOB (0.43) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL11247712 0.84 MAOB (0.37) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL28611458 0.82 CHRNA1 (0.41) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL11239617 0.81 SLC6A4 (0.37) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL10363964 0.81 LTA4H (0.38) MAOA
SCHEMBL28614545 0.81 MAOB (0.42) MAOBMAOASLC6A4SLC6A3CYP3A4
SCHEMBL10848899 0.80 MAOB (0.41) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL11250705 0.78 MAOB (0.39) MAOBMAOACA12CA1CA2
SCHEMBL28599789 0.77 SLC6A4 (0.37) MAOBMAOASLC6A4SLC6A3CYP3A4
SCHEMBL2082060 0.77 CA12 (0.41) MAOBMAOASLC6A4SLC6A3GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034871-B2 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1993-08-25 EP disclosed
US-4748253-A Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASINACHIM S.P.A. (IT) 1988-05-31 US disclosed
EP-0034871-B1 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1985-07-31 EP disclosed
EP-0034871-A2 Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASCHIM S.p.A. (IT) 1981-09-02 EP disclosed