SCHEMBL28328893

SCHEMBL28328893

CCCCCCc1occ(Br)c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.36
PPARA Q07869 1/20 0.35
GPR35 Q9HC97 4/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMPD1 P17405 1/20 0.34
TRPV1 Q8NER1 2/20 0.33

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
SCHEMBL28598339 0.71 MAOA (0.42) PPARAKDM4EMAPK1NPSR1SMPD1
SCHEMBL28327634 0.71 ALDH1A1 (0.47) PPARAMGLLKDM4EMAPK1
SCHEMBL27816116 0.70 BID (0.51) PPARAKDM4E
SCHEMBL6025704 0.70 ALDH1A1 (0.46) KDM4EMAPK1
SCHEMBL9642139 0.70 HTT (0.41) GRK6PPARAKDM4ESMPD1
SCHEMBL11001539 0.69 FBP1 (0.39) GRK6MGLLNPSR1
SCHEMBL21776644 0.67 PTPN1 (0.42) PPARAMGLLKDM4EMAPK1
SCHEMBL10829173 0.66 PPARA (0.61) PPARAKDM4EHDAC1HDAC6
SCHEMBL17867211 0.66 KAT8 (0.43) PPARAKDM4E
SCHEMBL11107777 0.66 THRB (0.35) GRK6PPARATHRATHRB

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-110305143-A A kind of furans [2,3-c] and pyridine derivate and its preparation method and application 济南新科医药科技有限公司 2019-10-08 CN disclosed