SCHEMBL28056103

SCHEMBL28056103

O=C(O)c1ccc(CCC2CCC2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.44
TSHR P16473 1/20 0.40
CEL P19835 2/20 0.39
FOLH1 Q04609 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TBK1 Q9UHD2 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAP4K4 O95819 1/20 0.36
BRS3 P32247 1/20 0.36
HCAR3 P49019 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL28056027 0.97 PPM1D (0.47) PPM1DCELKDM4CKDM4ETBK1
SCHEMBL28056149 0.94 PPM1D (0.41) PPM1DTSHRCELFOLH1KDM4C
SCHEMBL2361733 0.85 PPM1D (0.52) PPM1DCELKDM4CKDM4ETBK1
SCHEMBL28105519 0.84 PPM1D (0.45) PPM1DTSHRKDM4EKMT2AALDH1A1
SCHEMBL19348159 0.83 FOLH1 (0.59) TSHRFOLH1KMT2AALDH1A1BRS3
SCHEMBL28048040 0.81 PPM1D (0.48) PPM1DCELKDM4CKDM4EKMT2A
SCHEMBL27741282 0.80 PPM1D (0.50) PPM1DCELKDM4CKDM4EKMT2A
SCHEMBL28047118 0.78 KDM4E (0.42) PPM1DTSHRKDM4EKMT2AALDH1A1
SCHEMBL5051198 0.77 FOLH1 (0.65) TSHRFOLH1KDM4EGAA
Cyclopropane SCHEMBL28174238 0.76 RXRA (0.48) TSHRFOLH1KDM4EHPGDALDH1A1

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
CN-105407888-A Novel bicyclic bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-03-16 CN claimed
CN-105407888-A Novel bicyclic bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-03-16 CN disclosed