SCHEMBL12599313

SCHEMBL12599313

O=C1OC(=O)[C@@H]2C3CCC(C[C@H]12)O3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
GMNN O75496 1/20 0.57
PPM1B O75688 1/20 0.57
LMNA P02545 1/20 0.57
PPP1CC P36873 1/20 0.57
TFPI2 P48307 1/20 0.57
RAB9A P51151 1/20 0.57
PPP5C P53041 1/20 0.57
PPP1CA P62136 1/20 0.57
PMP22 Q01453 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 1/20 0.57
CYP2D6 P10635 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 9/20 0.34
SLC6A3 Q01959 9/20 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
Demethyl-Cantharidin SCHEMBL3195020 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL6432892 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL177729 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL19318920 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL9675442 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL3187662 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL9906842 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Norcantharidin SCHEMBL29380910 0.74 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL2697373 0.71 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL13084714 0.71 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420287-B2 Positive photosensitive resin composition CHEIL INDUSTRIES INC. (KR) 2013-04-16 US disclosed
US-20110111346-A1 Positive Photosensitive Resin Composition CHEIL INDUSTRIES INC. (KR) 2011-05-12 US disclosed