SCHEMBL8080655

SCHEMBL8080655

CCCCCCCCCCc1ccc(-c2ccc(COc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.76
MEN1 O00255 1/20 0.76
ALDH1A1 P00352 1/20 0.76
RARA P10276 1/20 0.76
MAPT P10636 1/20 0.76
MTOR P42345 1/20 0.76
KMT2A Q03164 1/20 0.76
RXRA P19793 1/20 0.63
RXRB P28702 1/20 0.63
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
PLA2G4B P0C869 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL18521456 0.96 RARB (0.68) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL18521452 0.96 RARB (0.68) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11358158 0.96 RARB (0.68) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10789890 0.95 RXRA (0.70) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10334335 0.91 RARB (0.84) RARBRXRARXRBTP53TSHR
SCHEMBL4448578 0.91 RARB (0.84) RARBRXRARXRBTP53TSHR
SCHEMBL10338532 0.91 RARB (0.84) RARBRXRARXRBTP53TSHR
SCHEMBL1123143 0.90 RXRA (0.72) RARBRXRARXRBTP53TSHR
SCHEMBL23484727 0.87 RARB (1.00) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL7542464 0.87 RARB (1.00) RARBMEN1ALDH1A1RARAMAPT

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
JP-2000016969-A BIPHENYL COMPOUND, LIQUID CRYSTAL MATERIAL OR COMPOSITION AND LIQUID CRYSTAL ELEMENT MITSUI CHEMICALS INC 2000-01-18 JP disclosed