SCHEMBL9843585

SCHEMBL9843585

CCOC(=O)C1[C@@H]2CCCC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.50
PTPN1 P18031 1/20 0.50
PPP1CC P36873 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 2/20 0.41
FKBP1A P62942 2/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5791356 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL25467328 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL9537641 1.00 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL3983188 0.98 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL3983080 0.98 ALDH1A1 (0.49) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL3985705 0.96 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL26077288 0.96 PPM1B (0.50) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL15712143 0.91 PPM1B (0.53) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL360031 0.83 PPM1B (0.47) PPM1BPTPN1PPP1CCNPC1RAB9A
SCHEMBL19543310 0.82 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1HSD11B1

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
EP-0421752-A2 Substituted acrylamido-penicillanic acid derivatives Beecham Group p.l.c. (GB) 1991-04-10 EP disclosed