SCHEMBL23095680

SCHEMBL23095680

COCC(O)CNCCCCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
PAOX Q6QHF9 1/20 0.38
POLB P06746 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL30786011 0.87 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL28466832 0.87 KDM4E (0.36) KDM4EALDH1A1KMT2APAOX
SCHEMBL22729319 0.84 KDM4E (0.39) KDM4EALDH1A1KMT2APOLBCYP3A4
SCHEMBL28466833 0.82 CYP3A4 (0.37) KDM4EALDH1A1KMT2ACYP3A4CYP2D6
SCHEMBL22729315 0.80 KDM4E (0.42) KDM4EALDH1A1KMT2APOLBCYP3A4
SCHEMBL29169706 0.80 ANPEP (0.45) KDM4EALDH1A1KMT2APOLBMAPT
SCHEMBL4140218 0.79 KDM4E (0.41) KDM4EALDH1A1KMT2APOLBCYP3A4
SCHEMBL4149074 0.79 KDM4E (0.41) KDM4EALDH1A1KMT2APOLBCYP3A4
SCHEMBL11237424 0.77 KDM4E (0.47) KDM4EALDH1A1KMT2APOLBMAPT
SCHEMBL28460427 0.77 PABPC1 (0.34) KDM4EALDH1A1KMT2APAOXADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3370863-B1 METHOD FOR PRODUCING A CHROMATOGRAPHY MEDIUM CYTIVA BIOPROCESS R & D AB (SE) 2021-03-17 EP disclosed