SCHEMBL254407

SCHEMBL254407

COOCc1cccc(C=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.53
MAOB P27338 7/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.39
UNG P13051 1/20 0.38
FDPS P14324 1/20 0.38
SRC P12931 1/20 0.38
ERN1 O75460 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL1279762 0.85 MAOA (0.55) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL30800165 0.85 MAOA (0.55) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL6781940 0.79 MAOA (0.50) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL7672328 0.79 MAOA (0.53) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL7935368 0.77 MAOA (0.51) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL254971 0.77 ALDH1A1 (0.48) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL31568503 0.76 MAOA (0.65) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL28524488 0.76 MAOA (0.51) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL6522331 0.76 MAOA (0.65) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL23430770 0.76 ERN1 (0.57) MAOAMAOBRAB9ANPC1TDP1

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
WO-2012033435-A1 METHOD, COMPOUND, PHARMACEUTICAL COMPOSITION AND DRUG FOR RESTORING MEMORY LOST IN NORMAL AND PATHOLOGICAL CONTEXTS ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "БИОФАРМ-МЕМОРЕЙН" (RU) 2012-03-15 WO disclosed
WO-2012030258-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "БИОФАРМ-МЕМОРЕЙН" (RU) 2012-03-08 WO disclosed