SCHEMBL9858159

SCHEMBL9858159

CCOC(=O)[N]S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.48
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ALDH1A1 P00352 7/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL1706509 0.81 POLB (0.54) KMT2AGAAPOLBF2PRSS1
SCHEMBL10728018 0.77 F2 (0.58) KMT2AGAAPOLBF2PRSS1
SCHEMBL26324738 0.77 F2 (0.53) KMT2AGAAPOLBF2PRSS1
SCHEMBL12871278 0.76 LMNA (0.49) KMT2AGAAPOLBF2PRSS1
SCHEMBL15705594 0.76 LMNA (0.49) KMT2AGAAPOLBF2PRSS1
SCHEMBL9652368 0.74 KMT2A (0.54) KMT2AGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL6891327 0.73 F2 (0.61) KMT2AGAAF2PRSS1PRSS2
SCHEMBL8519402 0.70 F2 (0.53) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL8429974 0.70 F2 (0.49) KMT2AGAAPOLBF2PRSS1
SCHEMBL2178479 0.70 KMT2A (0.78) KMT2AGAAALDH1A1LMNARECQL

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
US-5010189-A Processes for the preparation of 5-amino-4-hydroxy-valeric acid derivatives CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
US-4898977-A Processes for the preparation of 5-amino-4-hydroxyvaleric acid derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed