SCHEMBL13569403

SCHEMBL13569403

C=CC(=O)OC(COC(=O)C(=C)C)COc1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
MCHR1 Q99705 2/20 0.35
AR P10275 1/20 0.34
POLB P06746 2/20 0.33
BCL2A1 Q16548 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL13569407 0.96 TSHR (0.36) TSHRCYP2C9MCHR1POLBTDP1
SCHEMBL13569398 0.92 THRB (0.37) ARPOLBTDP1APEX1HTT
SCHEMBL13569404 0.92 AR (0.34) TSHRARPOLBTDP1KMT2A
SCHEMBL13569417 0.92 MAPT (0.37) ARPOLBTDP1APEX1HTT
SCHEMBL13569405 0.91 MAPT (0.37) ARPOLBTDP1APEX1HTT
SCHEMBL13569411 0.89 CHKA (0.34) ARPOLBTDP1APEX1HTT
SCHEMBL13569432 0.89 AR (0.38) ARMMP1MMP2
SCHEMBL13569414 0.89 THRB (0.37) ARPOLBTDP1APEX1HTT
SCHEMBL13569397 0.89 AR (0.32) ARPOLBTDP1APEX1HTT
SCHEMBL13569406 0.89 MAPT (0.35) CYP2C9ARPOLBTDP1APEX1

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-7629094-B2 Electrophotographic photoreceptor, and image forming method, image forming apparatus and process cartridge therefor using the electrophotographic photoreceptor RICOH COMPANY, LTD. (JP) 2009-12-08 US disclosed