SCHEMBL9596068

SCHEMBL9596068

CCOC(=O)N1C2CCC1C(C(=O)O)C2C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.46
PTPN1 P18031 2/20 0.46
PPP1CC P36873 2/20 0.46
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9847354 0.78 GAA (0.38) PPM1BPTPN1PPP1CCGAAALDH1A1
SCHEMBL3838195 0.78 KMT2A (0.46) GAAALDH1A1ALOX15THRBATM
SCHEMBL3843370 0.78 KMT2A (0.50) GAAALDH1A1ALOX15THRBATM
SCHEMBL13480843 0.76 CHRM2 (0.50) SMN1; SMN2
SCHEMBL7055895 0.74 CHRM1 (0.41)
SCHEMBL18618479 0.70 CHRM1 (0.38) GAAALDH1A1MAPTALOX15THRB
SCHEMBL18589689 0.70 KMT2A (0.41) PPM1BPTPN1PPP1CCGAAALDH1A1
SCHEMBL3139522 0.70 CHRM1 (0.50) GAA
SCHEMBL29822414 0.69 CHRM1 (0.49) GAAALDH1A1ALOX15THRBATM
SCHEMBL13321596 0.68 CHRM1 (0.55) GAAALDH1A1THRBATML3MBTL1

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-5179090-A Antiischemic agents; treatment of asthma, bronchitis, heart diseases DR. KARL THOMAE GMBH (DE) 1993-01-12 US disclosed
EP-0417630-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP disclosed