SCHEMBL170605

SCHEMBL170605

COc1cccc(C(=O)c2c(O)c3ccccc3n2-c2ccccc2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HCRTR1 O43613 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
REN P00797 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
SCHEMBL170603 0.74 ALDH1A1 (0.51) HTTALDH1A1POLBKMT2AMEN1
SCHEMBL9537285 0.74 MAPK8 (0.56) ALDH1A1POLBKMT2ALMNAKDM4E
SCHEMBL170978 0.74 KMT2A (0.51) HTTALDH1A1POLBKMT2ALMNA
SCHEMBL11421766 0.74 KMT2A (0.54) HTTALDH1A1POLBKMT2AMEN1
SCHEMBL10412007 0.73 PPARG (0.55) MTNR1AMTNR1BLMNAKDM4EPPARG
Hydrochloric Acid SCHEMBL10462662 0.72 PPARG (0.54) MTNR1AMTNR1BLMNAKDM4EPPARG
SCHEMBL3762150 0.72 RAB9A (0.55) TP53HTTALDH1A1POLBKMT2A
SCHEMBL170604 0.71 MAPT (0.46) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL11038273 0.71 EDNRA (0.57) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL29986971 0.71 MAPT (0.57) TP53HTTALDH1A1POLBKMT2A

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-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed