SCHEMBL27611908

SCHEMBL27611908

CCC(CC)(C(=O)OCc1ccc(CO)cc1)C(=O)ONC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.38
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
PTPRC P08575 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
RECQL P46063 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
SCHEMBL27631088 0.89 TPSAB1 (0.40) PTPN1KDM4EPTPRCALDH1A1MAPT
SCHEMBL27611938 0.88 MEN1 (0.38) PTPN1KDM4ELMNAPTPRCALDH1A1
SCHEMBL27395268 0.88 ALDH1A1 (0.49) PTPN1PTPRCALDH1A1MEN1KMT2A
SCHEMBL27621123 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6770770 0.78 RAB9A (0.39) PTPN1KDM4EALDH1A1MAPTHPGD
SCHEMBL9437629 0.77 PKM (0.34) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL8954959 0.76 FFAR1 (0.41) LMNA
SCHEMBL27611924 0.76 KDM4E (0.39) KDM4ELMNAALDH1A1MAPTHPGD
SCHEMBL9437511 0.75 LMNA (0.50) KDM4ELMNAALDH1A1MAPTHTT
SCHEMBL14935151 0.73 MAOA (0.47) KDM4EALDH1A1MAPTNPSR1CYP2C9

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-1688298-A Composition, Synthesis and Therapeutic Use of Polyamines MURPHY MICHAEL A (US) 2005-10-26 CN claimed