SCHEMBL10463521

SCHEMBL10463521

CCOC(=O)CCC(O)c1ccc(CCNS(=O)(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.48
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
LMNA P02545 4/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXA2R P21731 2/20 0.43
TBXAS1 P24557 2/20 0.43
RECQL P46063 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL10464058 0.88 TBXA2R (0.53) LMNAMEN1KMT2AALDH1A1TBXA2R
SCHEMBL10463281 0.88 AKR1C3 (0.56) AKR1C3LMNAMEN1MAPTKMT2A
SCHEMBL10460349 0.87 APEX1 (0.46) AKR1C3F10PRSS1PRSS2PRSS3
SCHEMBL10463119 0.86 AKR1C3 (0.54) AKR1C3LMNAMEN1MAPTKMT2A
SCHEMBL10462259 0.86 AKR1C3 (0.56) AKR1C3F10PRSS1PRSS2PRSS3
SCHEMBL10463635 0.83 AKR1C3 (0.53) AKR1C3F10PRSS1PRSS2PRSS3
SCHEMBL10463612 0.82 RAB9A (0.55) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL10462743 0.82 ALDH1A1 (0.53) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL10461695 0.82 TBXA2R (0.54) AKR1C3F10PRSS1PRSS2PRSS3
SCHEMBL10462768 0.81 TBXA2R (0.39) ADRB1ADRB3MAPTKMT2AALDH1A1

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