SCHEMBL28056149

SCHEMBL28056149

O=C(O)c1ccc(CCC2CC2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
FOLH1 Q04609 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
LIPG Q9Y5X9 2/20 0.37
LIPC P11150 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
PTPN1 P18031 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
NOTUM Q6P988 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL28056103 0.94 PPM1D (0.44) PPM1DKDM4ETSHRALDH1A1FOLH1
SCHEMBL28056027 0.94 PPM1D (0.47) PPM1DKDM4ETBK1GAACEL
SCHEMBL28047118 0.83 KDM4E (0.42) PPM1DKDM4ETSHRALDH1A1MAPK1
SCHEMBL2361733 0.81 PPM1D (0.52) PPM1DKDM4ETBK1GAACEL
SCHEMBL27792967 0.78 KDM4E (0.46) KDM4ETSHRALDH1A1MAPK1FOLH1
SCHEMBL28048040 0.77 PPM1D (0.48) PPM1DKDM4EALDH1A1PTPN1GAA
SCHEMBL28105519 0.77 PPM1D (0.45) PPM1DKDM4ETSHRALDH1A1MAPK1
SCHEMBL28835261 0.77 GRIK1 (0.38) PPM1DKDM4ETSHRALDH1A1MAPK1
SCHEMBL27741282 0.76 PPM1D (0.50) PPM1DKDM4EGAACELKMT2A
SCHEMBL1355580 0.76 RXRA (0.48) KDM4ETSHRALDH1A1FOLH1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105407888-A Novel bicyclic bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-03-16 CN claimed
CN-107106561-A Heparan sulfate biosynthesis inhibitor for treating disease 生物马林药物股份有限公司 2017-08-29 CN disclosed
CN-105407888-A Novel bicyclic bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-03-16 CN disclosed