SCHEMBL170603

SCHEMBL170603

COc1cccc(C(=O)n2c(-c3ccccc3)c(O)c3ccccc32)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
GAA P10253 3/20 0.51
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
USP2 O75604 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
AGTR1 P30556 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SCN9A Q15858 1/20 0.42
HIF1A Q16665 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PDE10A Q9Y233 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
SCHEMBL170605 0.74 TP53 (0.46) ALDH1A1LMNAGAAHTTPOLB
SCHEMBL170977 0.74 AGTR1 (0.72) ALDH1A1LMNAHTTHSD17B10AGTR1
SCHEMBL15202264 0.73 ALDH1A1 (0.51) ALDH1A1LMNAHTTPOLBKMT2A
SCHEMBL3628018 0.72 POLB (0.59) ALDH1A1LMNAGAAPOLBHSD17B10
SCHEMBL169758 0.68 AGTR1 (0.48) ALDH1A1LMNAPOLBHSD17B10TSHR
SCHEMBL152563 0.67 MAPT (0.59) ALDH1A1LMNAGAAHTTPOLB
SCHEMBL29603325 0.67 MAPT (0.59) ALDH1A1LMNAGAAHTTPOLB
SCHEMBL28381741 0.66 KMT2A (0.53) ALDH1A1LMNAGAAHTTPOLB
Hydrochloric Acid SCHEMBL4229730 0.66 MAPT (0.58) ALDH1A1LMNAGAAHTTPOLB
SCHEMBL9191986 0.66 MAPT (0.58) ALDH1A1LMNAGAAHTTPOLB

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