SCHEMBL10967679

SCHEMBL10967679

COC(=O)CCC(=O)CS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.50
RECQL P46063 1/20 0.49
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 1/20 0.45

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
SCHEMBL4022229 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ARECQLCA2CA9
SCHEMBL7874157 0.82 KMT2A (0.71) ALDH1A1KMT2A
SCHEMBL10972068 0.82 ALDH1A1 (0.59) ALDH1A1KMT2ARECQLCA2CA9
SCHEMBL11452472 0.79 ALDH1A1 (0.62) ALDH1A1KMT2ACA2CA9CA12
Methyl Aminolevulinate SCHEMBL1177327 0.78 LMNA (0.56) ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL8779427 0.77 ALDH1A1 (0.59) ALDH1A1KMT2ACA2CA9CA12
SCHEMBL15341172 0.76 HSD11B1 (0.70) ALDH1A1KMT2ARECQLCA2CA9
SCHEMBL8379500 0.75 ALDH1A1 (0.58) ALDH1A1KMT2ARECQLCA2CA9
SCHEMBL14684066 0.75 ALDH1A1 (0.62) ALDH1A1KMT2ARECQLCA2CA9
SCHEMBL27777022 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AMAPT

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-0063323-B1 5-SUBSTITUTED 4-OXO-PGI1 DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1985-10-30 EP disclosed
EP-0063323-A1 5-Substituted 4-oxo-PGI1 derivatives, their preparation and pharmaceutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1982-10-27 EP disclosed