SCHEMBL6508946

SCHEMBL6508946

O=C1CC(N2C(=O)C3C4CCC(O4)C3C2=O)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PPP1CC P36873 1/20 0.47
▸ TFPI2 P48307 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PPP5C P53041 1/20 0.47
▸ PPP1CA P62136 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17532444 0.71 ALDH1A1 (0.54) PPM1BSMN1; SMN2KDM4EGMNNLMNA
SCHEMBL17532446 0.70 SMN1; SMN2 (0.46) PPM1BSMN1; SMN2KDM4EGMNNLMNA
SCHEMBL19370837 0.68 CRBN (0.51) TDP1
SCHEMBL25591160 0.67 — —
Demethyl-Cantharidin SCHEMBL9675442 0.66 TP53 (1.00) PPM1BSMN1; SMN2KDM4EGMNNLMNA
Demethyl-Cantharidin SCHEMBL177729 0.66 TP53 (1.00) PPM1BSMN1; SMN2KDM4EGMNNLMNA
Demethyl-Cantharidin SCHEMBL9906842 0.66 TP53 (1.00) PPM1BSMN1; SMN2KDM4EGMNNLMNA
Norcantharidin SCHEMBL29380910 0.66 TP53 (1.00) PPM1BSMN1; SMN2KDM4EGMNNLMNA
Demethyl-Cantharidin SCHEMBL3195020 0.66 TP53 (1.00) PPM1BSMN1; SMN2KDM4EGMNNLMNA
Demethyl-Cantharidin SCHEMBL19318920 0.66 TP53 (1.00) PPM1BSMN1; SMN2KDM4EGMNNLMNA

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-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 — — WO disclosed
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