SCHEMBL28192862

SCHEMBL28192862

CCOC(=O)NC1CCC2OC2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 3/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ PPP1CC P36873 2/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ CHRM1 P11229 1/20 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
SCHEMBL28193535 0.83 PPM1B (0.41) PPM1BPTPN1PPP1CCNFKB1LMNA
SCHEMBL7470486 0.80 — —
SCHEMBL18380884 0.80 SMYD3 (0.47) HSD11B1DRD2NFKB1NFKB2RELA
SCHEMBL7788916 0.80 SMYD3 (0.47) HSD11B1DRD2NFKB1NFKB2RELA
SCHEMBL15943756 0.79 HSD11B1 (0.45) PPM1BPTPN1PPP1CCHSD11B1DRD2
Hydrochloric Acid SCHEMBL3971132 0.79 SMYD3 (0.46) HSD11B1DRD2NFKB1NFKB2RELA
SCHEMBL509424 0.77 BTK (0.55) HSD11B1DRD2NFKB1NFKB2RELA
SCHEMBL471721 0.77 BTK (0.55) HSD11B1DRD2NFKB1NFKB2RELA
SCHEMBL14805424 0.77 BTK (0.55) HSD11B1DRD2NFKB1NFKB2RELA
SCHEMBL468432 0.77 TFPI2 (0.41) PPM1BPTPN1PPP1CCNFKB1LMNA

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
CN-104211624-B For the pleuromutilin derivative for the disease for treating microbe-mediated 纳布里瓦治疗股份公司 2017-12-15 — — CN disclosed
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