SCHEMBL9099488

SCHEMBL9099488

c1ccc2c(-c3ccc4cccc5c4c3-c3c-5ccc4ccccc34)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.52
CES1 P23141 1/20 0.47
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
TSHR P16473 5/20 0.46
MAPK1 P28482 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 2/20 0.46
HPGD P15428 4/20 0.45
CYP1A2 P05177 3/20 0.45
THRB P10828 1/20 0.45
ANPEP P15144 1/20 0.43
CASP1 P29466 3/20 0.42
HIF1A Q16665 2/20 0.42
CASP7 P55210 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25404732 0.98 DNMT1 (0.55) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL30332848 0.98 DNMT1 (0.55) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL25402054 0.93 HPRT1 (0.50) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL25404148 0.91 DNMT1 (0.51) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL29177886 0.91 ALDH1A1 (0.54) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL30692007 0.90 DNMT1 (0.61) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL25403482 0.89 ALDH1A1 (0.52) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL31275801 0.89 ALDH1A1 (0.52) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL2958546 0.89 ALDH1A1 (0.52) DNMT1CES1ALDH1A1HSD17B10TSHR
SCHEMBL31122719 0.87 DNMT1 (0.45) DNMT1CES1ALDH1A1HSD17B10TSHR

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
EP-0717721-A1 PROCESS FOR THE PREPARATION OF FULLERENES HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-26 EP disclosed
WO-1995006001-A1 PROCESS FOR THE PREPARATION OF FULLERENES HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-02 WO disclosed