SCHEMBL9099485

SCHEMBL9099485

c1ccc2c(c1)-c1cccc3c(-c4cccc5ccccc45)c4ccccc4c-2c13

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 5/20 0.48
TSHR P16473 4/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
CASP1 P29466 3/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 2/20 0.47
DHFR P00374 1/20 0.41
ANPEP P15144 1/20 0.41
DNMT1 P26358 2/20 0.40
TYMP P19971 1/20 0.40
CASP7 P55210 2/20 0.39
CYP3A4 P08684 1/20 0.39
PABPC1 P11940 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL22419027 0.87 DHFR (0.46) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL25404300 0.86 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL5800222 0.85 DHFR (0.47) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL29416707 0.85 DNMT1 (0.47) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL260916 0.85 DNMT1 (0.47) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL2379478 0.85 DNMT1 (0.47) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL702934 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL29407412 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL19873098 0.85 MAPT (0.44) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL9100628 0.83 TYMP (0.46) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1

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