SCHEMBL14402961

SCHEMBL14402961

C=C(C)C(=O)OCc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc(C)c(CCCC)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.36
▸ THRB P10828 3/20 0.34
▸ THRA P10827 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14402960 0.94 THRB (0.35) TSHRTHRBTHRAALDH1A1KDM4E
SCHEMBL14402565 0.93 THRB (0.37) TSHRTHRBTHRAHPGDCYP3A4
SCHEMBL172441 0.90 THRB (0.47) TSHRTHRBTHRAHPGDTGM2
SCHEMBL172503 0.85 THRB (0.43) TSHRTHRBTHRAHPGDTGM2
SCHEMBL2602471 0.84 SMN1; SMN2 (0.36) TSHRTHRBALDH1A1HPGDKDM4E
SCHEMBL14402810 0.84 THRB (0.41) TSHRTHRBTHRAALDH1A1HPGD
SCHEMBL2602527 0.81 ALDH1A1 (0.42) TSHRTHRBTHRAALDH1A1HPGD
SCHEMBL2602479 0.81 SMN1; SMN2 (0.35) TSHRTHRBALDH1A1HPGDKDM4E
SCHEMBL14402755 0.81 ELANE (0.37) THRBATMHSD17B10GAALMNA
SCHEMBL14402958 0.81 ELANE (0.37) THRBATMHSD17B10GAALMNA

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
EP-1847881-A2 Image forming apparatus, image forming method, and process cartridge Ricoh Company, Ltd. (JP) 2007-10-24 — — EP disclosed
Send feedback