SCHEMBL21046542

SCHEMBL21046542

CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
CYP1A2 P05177 1/20 0.56
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.51
AOX1 Q06278 1/20 0.50
RAD52 P43351 5/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HTR2C P28335 1/20 0.48
ALOX5 P09917 1/20 0.47
USP2 O75604 1/20 0.46
UHRF1 Q96T88 1/20 0.46
SMARCA2 P51531 1/20 0.46
CHEK1 O14757 1/20 0.46
SETD7 Q8WTS6 1/20 0.46

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
SCHEMBL22023523 0.84 HTT (0.54) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL8639778 0.82 NAAA (0.60) HTTSMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL2823242 0.81 CYP1A2 (0.68) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL8443531 0.81 HTT (0.57) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL30046741 0.80 ALDH1A1 (0.73) HTTSMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL16523438 0.80 SMN1; SMN2 (1.00) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL13161952 0.79 SMN1; SMN2 (0.68) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL772833 0.79 KMT2A (0.56) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL19849439 0.79 HTT (0.55) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1
SCHEMBL1991981 0.79 HTT (0.55) HTTSMN1; SMN2CYP1A2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3497198-B1 DETERGENTS AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO KGAA (DE) 2023-05-31 EP disclosed
US-10876076-B2 Detergents and cleaning agents having improved performance HENKEL AG & CO. KGAA 2020-12-29 US disclosed
US-10876076-B2 Detergents and cleaning agents having improved performance HENKEL AG & CO. KGAA 2020-12-29 US disclosed
US-20190169544-A1 DETERGENTS AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2019-06-06 US disclosed
US-20190169544-A1 DETERGENTS AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2019-06-06 US disclosed