SCHEMBL9601533

SCHEMBL9601533

O=C(O)C1CCC(C(=O)OC(=O)C2CCC(C(=O)O)O2)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
TFPI2 P48307 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
PPM1B O75688 3/20 0.35
PTPN1 P18031 3/20 0.35
PPP1CC P36873 3/20 0.35
SUCNR1 Q9BXA5 1/20 0.32

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
SCHEMBL68843 0.84 LMNA (0.46) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL38319 0.84 LMNA (0.46) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL21987133 0.82 PPM1B (0.50) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL8013452 0.82 PPM1B (0.50) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL15436927 0.76 PPM1B (0.39) TSHRPPM1BPTPN1PPP1CC
SCHEMBL22942138 0.74 PPM1B (0.38) TSHRPPM1BPTPN1PPP1CC
SCHEMBL10669324 0.74 LMNA (0.42) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL70127 0.74 LMNA (0.42) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL16841846 0.73 GMNN (0.37) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL25659463 0.73 FFAR3 (0.38) KDM4EGMNNLMNAPMP22TFPI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP disclosed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed
US-4216215-A 7[(Furanyl-2-acetamido)-2-acetamido]cephalosporin derivatives PFIZER INC. (US) 1980-08-05 US disclosed
US-4137312-A Epoxy substituted cephalosporin derivatives PFIZER INC. (US) 1979-01-30 US disclosed