SCHEMBL8701007

SCHEMBL8701007

[CH2]c1cccc2c(C)c3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2A6 P11509 3/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 2/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL11615489 0.79 ALDH1A1 (0.60) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL5681552 0.78 CYP1A2 (0.46) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL119090 0.78 CYP1A2 (0.56) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL29360084 0.78 CYP1A2 (0.56) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL130782 0.76 ALDH1A1 (0.45) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL8695870 0.76 CYP2A6 (0.42) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL7905083 0.76 CYP1A2 (0.56) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL21360527 0.76 HSD17B10 (0.42) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL5750656 0.76 ALDH1A1 (0.56) HSD17B10TSHRHIF1AHPGDMAPK1
SCHEMBL14596475 0.76 HSD17B10 (0.42) HSD17B10TSHRHIF1AHPGDMAPK1

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
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed