SCHEMBL20051948

SCHEMBL20051948

COC(=O)[C@H]1[C@]2(C)C(=O)N(Cc3ccccc3)C(=O)[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.57
CTSG P08311 2/20 0.47
PRTN3 P24158 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL30875731 0.87 ELANE (0.53) ELANECTSGPRTN3ALDH1A1MEN1
SCHEMBL18517357 0.75 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL19971697 0.75 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL19971698 0.75 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL11772829 0.71 ELANE (0.68) ELANECTSGPRTN3ALDH1A1MEN1
SCHEMBL9031247 0.71 ALDH1A1 (0.53) ELANECTSGALDH1A1MEN1KMT2A
SCHEMBL6049147 0.71 ALDH1A1 (0.53) ELANECTSGALDH1A1MEN1KMT2A
SCHEMBL2870534 0.71 CACNA1G (0.48) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL13168448 0.70 FKBP1A (0.45) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL1190867 0.70 ALDH1A1 (0.44) ELANEALDH1A1LMNAMEN1KMT2A

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-9944613-B2 Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-04-17 US disclosed