SCHEMBL14038149

SCHEMBL14038149

CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1NC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.34
KCNH2 Q12809 1/20 0.34
RORC P51449 1/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14137635 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL12992688 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL9605862 0.86 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL14189733 0.86 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL10050521 0.86 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL8400471 0.86 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL14189734 0.86 PPM1B (0.52) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL6128867 0.85 MEN1 (0.43) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL14034644 0.85 MEN1 (0.43) PPM1BPTPN1PPP1CCALDH1A1MEN1
SCHEMBL392906 0.81 ALDH1A1 (0.40) PPM1BPTPN1PPP1CCALDH1A1MEN1

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-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed