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SCHEMBL7751874

SCHEMBL7751874

COC1(c2ccc(C(=O)O)cc2)CCC(c2cc3c(cc2C)C(C)(C)CCC3(C)C)C1.COC1(c2ccc(C(=O)O)cc2)CCC(c2ccc3c(c2)C(C)(C)CCC3(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 16/20 0.46
▸ RARB P10826 5/20 0.44
▸ RARG P13631 5/20 0.44
▸ RARA P10276 4/20 0.44
▸ RXRB P28702 10/20 0.43
▸ RXRG P48443 8/20 0.43
▸ CYP26A1 O43174 3/20 0.43
▸ CYP26B1 Q9NR63 3/20 0.43
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL7757685 0.93 RXRA (0.52) RXRARARBRARGRARARXRB
SCHEMBL7790860 0.92 RXRA (0.52) RXRARARBRARGRARARXRB
SCHEMBL7751877 0.92 CYP3A4 (0.38) RXRARARBRARGRARARXRB
SCHEMBL7757741 0.88 RARG (0.36) RXRARARBRARGRARARXRB
SCHEMBL7786489 0.79 RXRA (0.56) RXRARARBRARGRARARXRB
SCHEMBL7754577 0.78 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL7756274 0.74 RARB (0.49) RXRARARBRARGRARARXRB
SCHEMBL7756278 0.74 RARB (0.49) RXRARARBRARGRARARXRB
SCHEMBL7754550 0.71 RXRA (0.52) RXRARARBRARGRARARXRB
SCHEMBL7756268 0.70 RXRA (0.52) RXRARARBRARGRARARXRB

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-1077919-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 — — EP claimed
WO-1999058486-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 — — WO claimed