SCHEMBL10463281

SCHEMBL10463281

CCOC(=O)CCc1ccc(CCNS(=O)(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.56
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
TBXA2R P21731 1/20 0.50
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD11B1 P28845 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 1/20 0.48
TBXAS1 P24557 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL10463119 0.94 AKR1C3 (0.54) AKR1C3ALDH1A1LMNATBXA2RMAPT
SCHEMBL10463635 0.91 AKR1C3 (0.53) AKR1C3ALDH1A1LMNAMAPTKMT2A
SCHEMBL10463521 0.88 AKR1C3 (0.48) AKR1C3ALDH1A1LMNATBXA2RMAPT
SCHEMBL10461981 0.86 TBXA2R (0.62) AKR1C3ALDH1A1LMNATBXA2RMAPT
SCHEMBL11106768 0.86 ALDH1A1 (0.64) AKR1C3ALDH1A1LMNATBXA2RMAPT
SCHEMBL11107020 0.86 AKR1C3 (0.60) AKR1C3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11108646 0.84 AKR1C3 (0.50) AKR1C3ALDH1A1LMNAMAPTNPSR1
SCHEMBL10461985 0.80 AKR1C3 (0.58) AKR1C3ALDH1A1MAPTSMN1; SMN2RECQL
SCHEMBL10462371 0.80 TBXA2R (0.59) AKR1C3ALDH1A1LMNATBXA2RKMT2A
SCHEMBL11107840 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1

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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed