SCHEMBL9581983

SCHEMBL9581983

CCOC(=O)CCC1CSc2sccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
PKM P14618 2/20 0.33
BRD4 O60885 2/20 0.33
NOTUM Q6P988 1/20 0.32
PIN1 Q13526 1/20 0.32
PIN4 Q9Y237 1/20 0.32

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
SCHEMBL28522885 0.69 METAP1 (0.50) ALDH1A1GAAHSD17B10MAPTKMT2A
SCHEMBL8534761 0.68 ALDH1A1 (0.52) ALDH1A1GAAHSD17B10MAPTHPGD
SCHEMBL11533101 0.67 KMT2A (0.40) ALDH1A1GAAHSD17B10MAPTKMT2A
SCHEMBL6381696 0.66 FOLH1 (0.50) ALDH1A1HSD17B10KMT2AMEN1HPGD
SCHEMBL10614240 0.66 ALDH1A1 (0.42) ALDH1A1GAAHSD17B10MAPTKMT2A
SCHEMBL23128214 0.66 ALDH1A1 (0.44) ALDH1A1GAAHSD17B10MAPTKMT2A
SCHEMBL17211829 0.66 CYP24A1 (0.44) ALDH1A1GAAHSD17B10MAPTKMT2A
SCHEMBL8792164 0.66 TSHR (0.34) KAT2BALDH1A1GAAHSD17B10MAPT
SCHEMBL14062161 0.65 CYP26A1 (0.55) BRD4
SCHEMBL8792741 0.65 TSHR (0.38) ALDH1A1GAAHSD17B10MAPTKMT2A

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-5235059-A Topically treating ocular hypertension and glaucoma MERCK & CO., INC. (US) 1993-08-10 US disclosed