SCHEMBL11120685

SCHEMBL11120685

CCCCCOc1ccc(-c2ccc3c(c2O)C(=O)c2ccc(-c4ccc(OCCCCC)cc4)c(O)c2C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.53
▸ RARB P10826 3/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ LTA4H P09960 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTPN11 Q06124 2/20 0.49
▸ GPR84 Q9NQS5 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.47
▸ ALDH2 P05091 1/20 0.46
▸ PTPN1 P18031 1/20 0.45

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
SCHEMBL10937359 0.92 NR5A1 (0.46) NR5A1RARBNPC1RAB9ALTA4H
SCHEMBL10936357 0.91 NR5A1 (0.48) NR5A1RARBNPC1RAB9ALTA4H
SCHEMBL10934038 0.91 NR5A1 (0.48) NR5A1RARBNPC1RAB9ALTA4H
SCHEMBL10938465 0.91 NR5A1 (0.48) NR5A1RARBNPC1RAB9ALTA4H
SCHEMBL11036802 0.90 ELANE (0.57) NR5A1RARBNPC1RAB9AMEN1
SCHEMBL10934578 0.89 NPC1 (0.46) NR5A1RARBNPC1RAB9ALTA4H
SCHEMBL10936375 0.88 GPR84 (0.44) NR5A1RARBNPC1RAB9ALTA4H
SCHEMBL10937135 0.87 PTPN11 (0.45) NR5A1RARBNPC1RAB9AMEN1
SCHEMBL10936230 0.87 PTPN11 (0.45) NR5A1RARBNPC1RAB9AMEN1
SCHEMBL10938731 0.87 PTPN11 (0.45) NR5A1RARBNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048887-B1 LIQUID CRYSTAL COMPOSITION CONTAINING A PLEOCHROIC ANTHRAQUINONE DYE MERCK PATENT GmbH (DE) 1984-08-01 — — EP claimed
EP-0048887-A1 Liquid crystal composition containing a pleochroic anthraquinone dye MERCK PATENT GmbH (DE) 1982-04-07 — — EP claimed
EP-0048887-B1 LIQUID CRYSTAL COMPOSITION CONTAINING A PLEOCHROIC ANTHRAQUINONE DYE MERCK PATENT GmbH (DE) 1984-08-01 — — EP disclosed
EP-0048887-A1 Liquid crystal composition containing a pleochroic anthraquinone dye MERCK PATENT GmbH (DE) 1982-04-07 — — EP disclosed
EP-0048887-A1 Liquid crystal composition containing a pleochroic anthraquinone dye MERCK PATENT GmbH (DE) 1982-04-07 — — EP disclosed
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