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SCHEMBL7751877

SCHEMBL7751877

COC1(c2ccc(C(=O)OC(=O)c3ccc(C4(OC)CCC(c5cc6c(cc5C)C(C)(C)CCC6(C)C)C4)cc3)cc2)CCC(c2ccc3c(c2)C(C)(C)CCC3(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.38
▸ RARA P10276 4/20 0.38
▸ RARB P10826 4/20 0.38
▸ RARG P13631 4/20 0.38
▸ RXRA P19793 13/20 0.36
▸ RXRB P28702 7/20 0.34
▸ RXRG P48443 6/20 0.34
▸ CYP26A1 O43174 5/20 0.34
▸ CYP26B1 Q9NR63 3/20 0.34

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
SCHEMBL7751874 0.92 RXRA (0.46) CYP3A4RARARARBRARGRXRA
SCHEMBL7757685 0.85 RXRA (0.52) RARARARBRARGRXRARXRB
SCHEMBL7757741 0.84 RARG (0.36) RARARARBRARGRXRARXRB
SCHEMBL7790860 0.83 RXRA (0.52) CYP3A4RARARARBRARGRXRA
SCHEMBL7756281 0.75 RARB (0.40) CYP3A4RARARARBRARGRXRA
SCHEMBL7786489 0.73 RXRA (0.56) RARARARBRARGRXRARXRB
SCHEMBL7754577 0.72 RXRA (0.49) CYP3A4RARARARBRARGRXRA
SCHEMBL7751735 0.70 RXRA (0.36) CYP3A4RARARARBRARGRXRA
SCHEMBL7757942 0.66 RXRA (0.36) RARARARBRARGRXRARXRB
SCHEMBL7781814 0.66 RARB (0.43) CYP3A4RARARARBRARGRXRA

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