SCHEMBL11079931

SCHEMBL11079931

O=C(O)CCC(=O)c1c(-c2ccc(Br)cc2)cc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 5/20 0.46
HTT P42858 3/20 0.46
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 4/20 0.39
FFAR1 O14842 2/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL11074803 0.91 SMN1; SMN2 (0.58) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11071349 0.88 L3MBTL1 (0.49) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11081956 0.88 SMN1; SMN2 (0.52) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11080433 0.88 L3MBTL1 (0.49) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11075105 0.84 THRB (0.52) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11077267 0.84 L3MBTL1 (0.46) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11078473 0.84 L3MBTL1 (0.51) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11187294 0.83 L3MBTL1 (0.45) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL1646584 0.78 SMN1; SMN2 (0.55) L3MBTL1THRBSMN1; SMN2MAPTHTT
SCHEMBL11075893 0.78 THRB (0.58) L3MBTL1THRBSMN1; SMN2MAPTHTT

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-0043858-B1 HETERO RING-SUBSTITUTED OXOALKANOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-04-18 EP disclosed
US-4386092-A IMMUNOMODULATORY YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1983-05-31 US disclosed
EP-0043858-A1 HETERO RING-SUBSTITUTED OXOALKANOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1982-01-20 EP disclosed