SCHEMBL10848899

SCHEMBL10848899

COc1ccc(C2(CCBr)OCCO2)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
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
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
POLB P06746 1/20 0.35
ICMT O60725 2/20 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
SCHEMBL11250705 0.90 MAOB (0.39) MAOBMAOACA12CA1CA2
SCHEMBL10812925 0.87 MAOB (0.39) MAOBMAOACA12CA1CA2
SCHEMBL3900022 0.86 MAOB (0.43) MAOBMAOACA12CA1CA2
SCHEMBL11247712 0.84 MAOB (0.37) MAOBMAOACA12CA1CA2
SCHEMBL11250459 0.83 SMN1; SMN2 (0.38) MAOBMAOACA12CA1CA2
SCHEMBL2082060 0.81 CA12 (0.41) MAOBMAOACA12CA1CA2
SCHEMBL1593292 0.81 SMN1; SMN2 (0.36) MAOBMAOACA12CA1CA2
SCHEMBL9517524 0.80 MAOB (0.41) MAOBMAOACA12CA1CA2
SCHEMBL11237020 0.80 RYR2 (0.36) MAOBMAOACA12CA1CA2
SCHEMBL12134317 0.79 SMN1; SMN2 (0.40) MAOBMAOACA12CA1CA2

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-4618697-A Process for preparing alpha-arylalkanoic acids ZAMBON SPA (IT) 1986-10-21 US disclosed
EP-0151817-A1 Process for preparing alpha-arylalkanoic acids ZAMBON S.p.A. (IT) 1985-08-21 EP disclosed