SCHEMBL4945771

SCHEMBL4945771

CCN(O)CCNCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
KDM5A P29375 12/20 0.36
KDM4C Q9H3R0 12/20 0.36
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 2/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PHF8 Q9UPP1 4/20 0.31

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
SCHEMBL19214722 0.81 KDM4E (0.47) ALDH1A1ALDH2KDM5AKDM4CKDM4E
SCHEMBL9455562 0.81 TDP1 (0.37) KDM4CKDM4EKDM4A
SCHEMBL10796622 0.80
Hydrochloric Acid SCHEMBL17220603 0.79 KDM4E (0.46) ALDH1A1ALDH2KDM5AKDM4CKDM4E
Hydrochloric Acid SCHEMBL29124192 0.79 KDM4E (0.46) ALDH1A1ALDH2KDM5AKDM4CKDM4E
Water SCHEMBL27341657 0.78 ALDH1A1 (0.45) ALDH1A1ALDH2KDM5AKDM4CKDM4A
SCHEMBL9939563 0.78 ALDH1A1 (0.45) ALDH1A1ALDH2KDM5AKDM4CKDM4A
SCHEMBL23876518 0.78 ALDH1A1 (0.43) ALDH1A1ALDH2KDM5AKDM4CKDM4E
SCHEMBL13261102 0.76 TDP1 (0.43) ALDH1A1ALDH2KDM5AKDM4CKDM4E
SCHEMBL2507441 0.76 CYP2C9 (0.44) KDM5AKDM4CKDM4EKDM4APHF8

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
EP-1895979-B1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD (JP) 2014-03-12 EP disclosed
EP-1895979-A1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE Dow Corning Toray Co., Ltd. (JP) 2008-03-12 EP disclosed
WO-2006137576-A1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO., LTD. (JP) 2006-12-28 WO disclosed