SCHEMBL10988136

SCHEMBL10988136

COc1ccccc1CSCC(SC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 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
SCHEMBL11860380 0.82 KIF11 (0.49) KMT2AMEN1CRHBPCRHR2NPC1
SCHEMBL11860377 0.82 KIF11 (0.49) KMT2AMEN1CRHBPCRHR2NPC1
SCHEMBL10988423 0.78 KMT2A (0.41) KMT2AMEN1CRHBPCRHR2NPC1
SCHEMBL2333106 0.76 ALDH1A1 (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28403191 0.75 IDO1 (0.55) SMN1; SMN2ALDH1A1HTTGAA
SCHEMBL11430769 0.74 ACE (0.54) SMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL11562418 0.74 PPARA (0.65) ALDH1A1GAAITGA4ITGB7
SCHEMBL11327876 0.74 PPARA (0.65) ALDH1A1GAAITGA4ITGB7
SCHEMBL7305729 0.72 KIF11 (0.44) KMT2ASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL10993383 0.72 TSHR (0.39) KMT2AMEN1CRHBPCRHR2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499287-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 US disclosed
US-4456761-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed
US-4356182-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-10-26 US disclosed
US-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed
US-4311697-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed
US-4291040-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-09-22 US disclosed