SCHEMBL9217693

SCHEMBL9217693

CCCCCCCCOc1ccc2cc(OCc3ccc(C(=O)O[C@H](C)CCCCCC)cc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
THRA P10827 1/20 0.48
TP53 P04637 1/20 0.45
PLA2G4B P0C869 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RARB P10826 3/20 0.43

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
SCHEMBL9222151 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9219869 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9219378 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9222326 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9226574 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9217735 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9226486 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9226611 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9226311 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1
SCHEMBL9219933 1.00 TSHR (0.51) TSHRTHRATP53PLA2G4BALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332409-B1 Novel substituted naphthalene compounds and liquid crystal compositions containing same MITSUI PETROCHEMICAL IND (JP) 1995-05-24 EP disclosed
US-5053164-A For high speed switching MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-01 US disclosed
US-4943651-A Novel substitued naphthalene compounds and liquid crystal compositions containing same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-07-24 US disclosed