SCHEMBL996635

SCHEMBL996635

O=C(/C=C/c1ccco1)c1cc2c(cc1OCCN1CCCCC1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HIF1AN Q9NWT6 3/20 0.42
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
LTA4H P09960 1/20 0.41
PTPN1 P18031 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
SCHEMBL996637 1.00 MAOB (0.46) MAOBMAPTALDH1A1POLBMAPK1
SCHEMBL997479 0.85 MAOB (0.56) MAOBMAPTNPC1RAB9AHIF1AN
SCHEMBL997477 0.85 MAOB (0.56) MAOBMAPTNPC1RAB9AHIF1AN
SCHEMBL996167 0.83 SMN1; SMN2 (0.46) MAOBMAPTALDH1A1MAPK1KMT2A
SCHEMBL997035 0.83 KEAP1 (0.56) MAOBPOLBKDM4EABCG2
SCHEMBL996166 0.83 SMN1; SMN2 (0.46) MAOBMAPTALDH1A1MAPK1KMT2A
SCHEMBL997033 0.83 KEAP1 (0.56) MAOBPOLBKDM4EABCG2
Hydrochloric Acid SCHEMBL999098 0.82 SMN1; SMN2 (0.46) MAOBMAPTALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL999096 0.82 SMN1; SMN2 (0.46) MAOBMAPTALDH1A1MAPK1KMT2A
SCHEMBL996162 0.82 MAOB (0.56) MAOBMAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed