SCHEMBL9625116

SCHEMBL9625116

Nc1ccc(CCCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASP1 P29466 1/20 0.51
MAOA P21397 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC3 O15379 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL6159752 0.91 TDP1 (0.64) MAOBMAPK1TDP1ALDH1A1L3MBTL1
SCHEMBL14368556 0.91 TDP1 (0.61) MAPK1TDP1ALDH1A1L3MBTL1CASP1
SCHEMBL14793821 0.88 TRPV1 (0.57) MAPK1TDP1ALDH1A1L3MBTL1CASP1
SCHEMBL19007852 0.85 ALDH1A1 (0.59) MAPK1TDP1ALDH1A1L3MBTL1CASP1
SCHEMBL19007857 0.84 MAPT (0.62) MAPK1TDP1ALDH1A1L3MBTL1HDAC1
SCHEMBL7907176 0.84 FFAR1 (0.66) ALOX5MGLL
SCHEMBL16377282 0.83 TDP1 (0.53) MAPK1TDP1ALDH1A1L3MBTL1CASP1
SCHEMBL31329294 0.82 ALDH1A1 (0.61) TDP1ALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL3868132 0.82 TRPV1 (0.53) MAPK1TDP1ALDH1A1L3MBTL1CASP1
SCHEMBL15888217 0.82 CASP1 (0.49) MAPK1TDP1ALDH1A1L3MBTL1CASP1

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-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
EP-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP disclosed