SCHEMBL8702828

SCHEMBL8702828

COC(=O)c1ccc(C2(c3ccc4c(c3)C(C)(C)CCO4)SCCCS2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.59
▸ RARG P13631 6/20 0.59
▸ RARA P10276 5/20 0.59
▸ RXRA P19793 6/20 0.55
▸ CYP26A1 O43174 6/20 0.48
▸ CYP26B1 Q9NR63 5/20 0.48
▸ HNF4A P41235 1/20 0.41
▸ CYP3A4 P08684 4/20 0.40
▸ RXRB P28702 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL8706853 0.88 RXRA (0.71) RARBRARGRARARXRACYP26A1
SCHEMBL8706133 0.84 RXRA (0.76) RARBRARGRARARXRACYP26A1
SCHEMBL8708590 0.81 RARA (0.61) RARBRARGRARARXRACYP26A1
SCHEMBL7417023 0.79 RARB (0.71) RARBRARGRARARXRACYP26A1
SCHEMBL8708782 0.79 RXRA (0.74) RARBRARGRARARXRACYP26A1
SCHEMBL9850154 0.77 RARB (0.67) RARBRARGRARARXRACYP26A1
SCHEMBL7454847 0.76 RXRA (0.56) RARBRARGRARARXRACYP26A1
SCHEMBL10556851 0.74 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL10556841 0.74 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL26471804 0.73 RARB (0.62) RARBRARGRARARXRACYP26A1

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
US-5837725-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1998-11-17 — — US disclosed
WO-1995033745-A2 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY SRI INTERNATIONAL (US) 1995-12-14 — — WO disclosed
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