SCHEMBL19861218

SCHEMBL19861218

CCCC(C)(C)CC(=O)NCCN

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SLC6A5 Q9Y345 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP2 P42575 1/20 0.32
MCL1 Q07820 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FDPS P14324 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NAAA Q02083 1/20 0.31
RRM1 P23921 1/20 0.30
HPGD P15428 1/20 0.30
FAAH O00519 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
SCHEMBL19861148 0.89 SLC6A5 (0.38) ALDH1A1SLC6A5MEN1KMT2ACASP2
SCHEMBL20076165 0.86 CASP2 (0.43) SLC6A5CASP2FFAR1CPT2TDP1
SCHEMBL12334732 0.85 MEN1 (0.35) ALDH1A1SLC6A5MEN1KMT2ACASP2
SCHEMBL19177310 0.83 CASP2 (0.46) ALDH1A1MEN1KMT2ACASP2FFAR1
SCHEMBL21761154 0.82 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACASP2MCL1
SCHEMBL21236823 0.80 POLB (0.36) ALDH1A1MEN1KMT2ACASP2MCL1
SCHEMBL1963990 0.78 HPGD (0.42) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL24943395 0.76 ALDH1A1 (0.34) ALDH1A1SLC6A5MEN1KMT2ACASP2
SCHEMBL12308380 0.76 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL26731302 0.76 PIK3CD (0.44) ALDH1A1SLC6A5MEN1KMT2AHSD17B10

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
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed