SCHEMBL9634995

SCHEMBL9634995

CC=COCCOc1ccc(C(C)(c2ccc(OCCOC=CC)cc2)c2ccc(OCCOC=CC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.39
HRH3 Q9Y5N1 9/20 0.39
MAOB P27338 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL905336 0.81 KDM4E (0.41) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL13475860 0.74 SMN1; SMN2 (0.53) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL6333576 0.74 LTA4H (0.52) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL9635130 0.73 TSHR (0.41) SMN1; SMN2CYP3A4HRH3MEN1KMT2A
SCHEMBL1456663 0.73 THRA (0.45) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL4254052 0.72 SMN1; SMN2 (0.68) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL9635109 0.71 PPARG (0.36)
SCHEMBL17029438 0.71 HDAC3 (0.47) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2
SCHEMBL8225106 0.70 NR5A1 (0.58)
SCHEMBL19912050 0.70 CYP3A4 (0.56) KDM4EPSMB1PSMB5PSMB2SMN1; SMN2

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
US-5102966-A Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound SEKISUI CHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed