SCHEMBL16906058

SCHEMBL16906058

C=CC1(C)CCC2C(=CCC3C(C)(OC(=O)CCC(O)CC(=O)OC4(C)CCCC5(C)C6CCC(C=C)(CC)CC6=CCC45)CCCC23C)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ RXRG P48443 1/20 0.51
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL17715445 0.94 RXRA (0.57) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL15076111 0.81 RXRA (0.60) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL17715484 0.76 RXRA (0.60) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL16906056 0.75 CYP2C9 (0.56) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL16902964 0.74 RXRA (0.53) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL16906028 0.71 HSD17B10 (0.57) CYP2C9CYP2C19
SCHEMBL15072080 0.69 RXRA (0.67) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL16906149 0.69 MMP2 (0.36) CYP2C9CYP2C19
Isopimaric Acid SCHEMBL15744757 0.69 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL12732275 0.69 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197668-A1 POLYESTER PROCESSES XEROX CORPORATION (US) 2015-07-16 — — US disclosed
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