SCHEMBL22056582

SCHEMBL22056582

CCNC(=O)CCNC(=O)C(C)(C)CO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
MCL1 Q07820 1/20 0.34
NAAA Q02083 1/20 0.34
CNR1 P21554 2/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CAPN1 P07384 1/20 0.33
CASP2 P42575 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RIPK1 Q13546 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 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
SCHEMBL13687263 0.82 RIPK1 (0.37) FAAHMCL1CNR1KMT2AALDH1A1
SCHEMBL17680252 0.79 FAAH (0.42) FAAHMCL1EPHX2KMT2AALDH1A1
SCHEMBL621056 0.78 KDM4C (0.44) MCL1CNR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12565693 0.76 CNR1 (0.46) CNR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL618269 0.75 EPHX1 (0.50) NAAACNR1EPHX1
SCHEMBL29306578 0.73 EPHX1 (0.58) NAAACNR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9499386 0.72 CNR1 (0.34) CNR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL24883639 0.72 RIPK1 (0.42) CNR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL12424179 0.71 FAAH (0.50) FAAHMCL1NAAAEPHX2KMT2A
SCHEMBL12673154 0.71 KMT2A (0.58) FAAHMCL1NAAAEPHX2KMT2A

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
WO-2020113209-A1 PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed