SCHEMBL5809103

SCHEMBL5809103

CCN(CCNCCO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.38
PAOX Q6QHF9 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALDH2 P05091 2/20 0.35
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28273511 0.98 REN (0.37) RENPAOXPOLBALDH1A1ALDH2
SCHEMBL9170356 0.83 ALDH1A1 (0.37) RENPAOXALDH1A1ALDH2LMNA
SCHEMBL23876518 0.80 ALDH1A1 (0.43) RENALDH1A1ALDH2LMNACA12
SCHEMBL9467787 0.79 REN (0.42) RENPAOXCA12CA1CA9
Diethanolamine SCHEMBL1696414 0.79 REN (0.36) RENPAOXALDH1A1CA12CA1
SCHEMBL871699 0.78
SCHEMBL15798319 0.77 OPRM1 (0.41) RENALDH1A1ALDH2LMNACA12
SCHEMBL27088820 0.75 PAOX (0.36) RENPAOXPOLBALDH1A1LMNA
SCHEMBL9633650 0.74 LMNA (0.44) PAOXALDH1A1LMNA
SCHEMBL20876137 0.74 CA12 (0.43) ALDH1A1ALDH2LMNACA12CA1

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
WO-2006112492-A2 ADDITIVES FOR HIGH-CONCENTRATION ANIONIC SURFACTANTS KAO CORPORATION (JP) 2006-10-26 WO disclosed
EP-0353735-A2 Detergent composition Kao Corporation (JP) 1990-02-07 EP disclosed