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Sugi Predict / Compounds / SCHEMBL7755796

SCHEMBL7755796

SCHEMBL7755796

COC1(C=CC(=O)O)CCCC1c1cc2c(cc1C)C(C)(C)CCC2(C)C.COC1(C=CC(=O)O)CCCC1c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 19/20 0.55
▸ RARG P13631 5/20 0.55
▸ RARB P10826 4/20 0.55
▸ CYP26A1 O43174 1/20 0.39
▸ RXRB P28702 5/20 0.37
▸ RXRG P48443 5/20 0.37

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
SCHEMBL7755781 1.00 RXRA (0.55) RXRARARGRARBCYP26A1RXRB
SCHEMBL7755783 1.00 RXRA (0.55) RXRARARGRARBCYP26A1RXRB
SCHEMBL7755829 0.92 RXRA (0.60) RXRARARGRARBCYP26A1RXRB
SCHEMBL7755837 0.92 RXRA (0.60) RXRARARGRARBCYP26A1RXRB
SCHEMBL7755812 0.92 RXRA (0.47) RXRARARGRARBRXRBRXRG
SCHEMBL7755832 0.92 RXRA (0.60) RXRARARGRARBCYP26A1RXRB
SCHEMBL7755803 0.92 RXRA (0.47) RXRARARGRARBRXRBRXRG
SCHEMBL7755808 0.92 RXRA (0.47) RXRARARGRARBRXRBRXRG
SCHEMBL7755791 0.92 RXRA (0.49) RXRARARGRARBRXRBRXRG
SCHEMBL7757702 0.75 RXRA (0.45) RXRARARGRARBCYP26A1RXRB

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-1077920-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 — — EP disclosed
WO-1999058487-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 — — WO disclosed