SCHEMBL6933298

SCHEMBL6933298

C=CC(=O)OCCOCCOCCOCCOCCOc1ccc(O)c(CCCCCCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
THRA P10827 1/20 0.46
CNR2 P34972 11/20 0.45
CNR1 P21554 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL6931745 0.85 THRB (0.44) THRBTSHRHPGDTHRAMEN1
SCHEMBL14091318 0.82 ALDH1A1 (0.66) THRBTSHRHPGDTHRAMEN1
SCHEMBL10033661 0.82 ALDH1A1 (0.66) THRBTSHRHPGDTHRAMEN1
SCHEMBL14477492 0.82 ALDH1A1 (0.66) THRBTSHRHPGDTHRAMEN1
SCHEMBL9446718 0.82 ALDH1A1 (0.66) THRBTSHRHPGDTHRAMEN1
SCHEMBL8027527 0.82 MEN1 (0.65) THRBTSHRCNR2CNR1MEN1
SCHEMBL4808524 0.82 MEN1 (0.51) TSHRCNR2CNR1MEN1USP2
SCHEMBL8013195 0.82 MEN1 (0.65) THRBTSHRCNR2CNR1MEN1
SCHEMBL11799012 0.82 CNR2 (0.59) TSHRCNR2CNR1MEN1CYP3A4
SCHEMBL224134 0.82 CNR2 (0.59) TSHRCNR2CNR1MEN1CYP3A4

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
EP-0801117-B1 Antifouling resin composition NIPPON PAINT CO LTD (JP) 2003-11-26 EP disclosed
EP-0801117-A2 Antifouling resin composition Nippon Paint Co., Ltd. (JP) 1997-10-15 EP disclosed