SCHEMBL9727383

SCHEMBL9727383

CCC(NS(=O)(=O)c1ccc(N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.59
MMP13 P45452 6/20 0.59
MMP3 P08254 5/20 0.59
MAPT P10636 2/20 0.56
MMP1 P03956 3/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
AIMP2 Q13155 2/20 0.50
MMP12 P39900 1/20 0.50
USP2 O75604 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL22500602 0.78 MAPT (0.59) MAPTPOLBMEN1KMT2AAIMP2
SCHEMBL22500385 0.77 AIMP2 (0.64) MAPTPOLBMEN1KMT2AAIMP2
SCHEMBL22500500 0.77 AIMP2 (0.64) MAPTPOLBMEN1KMT2AAIMP2
SCHEMBL3427026 0.77 TDP1 (0.64) MMP2MMP13MMP3MMP1
SCHEMBL3392197 0.77 TDP1 (0.64) MMP2MMP13MMP3MMP1
SCHEMBL3397101 0.77 TDP1 (0.64) MMP2MMP13MMP3MMP1
SCHEMBL10076154 0.76 MMP2 (0.59) MMP2MMP13MAPTMMP12
SCHEMBL10687687 0.76 MMP2 (0.59) MMP2MMP13MAPTMMP12
SCHEMBL22500268 0.76 AIMP2 (0.66) MAPTPOLBMEN1KMT2AAIMP2
SCHEMBL22500619 0.76 AIMP2 (0.66) MAPTPOLBMEN1KMT2AAIMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
US-4990531-A Antispasmodic agents ROUSSEL UCLAF (FR) 1991-02-05 US disclosed