SCHEMBL11538898

SCHEMBL11538898

CCOC(=O)c1ccccc1NCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
TSHR P16473 5/20 0.59
ALDH1A1 P00352 7/20 0.58
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 4/20 0.55
CDC25B P30305 2/20 0.55
CDC25A P30304 1/20 0.55
CDC25C P30307 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 2/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
MAPK10 P53779 1/20 0.52

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
SCHEMBL7628551 0.86 KDM4E (0.64) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL11575147 0.84 KDM4E (0.55) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL28496237 0.84 KDM4E (0.55) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL1460556 0.84 TSHR (0.67) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6383958 0.83 TSHR (0.65) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL10796053 0.81 TSHR (0.62) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL11159593 0.81 TSHR (0.62) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL8062417 0.80 KDM4E (0.74) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL9742572 0.80 TSHR (0.61) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL11162151 0.80 TSHR (0.61) KDM4ETSHRALDH1A1HPGDSMN1; SMN2

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-4133828-A Manufacture of dimethylaminobenzenesulfonates BASF AKTIENGESELLSCHAFT (DE) 1979-01-09 US disclosed
US-4002664-A Manufacture of dimethylaminobenzenecarboxylic acid esters BASF AKTIENGESELLSCHAFT (DT) 1977-01-11 US disclosed