SCHEMBL16906056

SCHEMBL16906056

C=CC1(C)C=C2CCC3C(C)(OC(=O)CCC(O)CC(=O)OC4(C)CCCC5(C)C6CCC(C)(C=C)C=C6CCC45)CCCC3(C)C2CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ CYP19A1 P11511 1/20 0.54
▸ F10 P00742 7/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL17715483 0.88 CYP2C9 (0.61) CYP2C9CYP2C19CYP19A1F10RXRA
SCHEMBL16906057 0.88 CYP2C9 (0.57) CYP2C9CYP2C19CYP19A1F10RXRA
SCHEMBL15076113 0.86 CYP2C9 (0.59) CYP2C9CYP2C19CYP19A1F10RXRA
SCHEMBL17715455 0.82 CYP2C9 (0.54) CYP2C9CYP2C19CYP19A1F10RXRA
SCHEMBL16906147 0.80 MMP2 (0.40) CYP2C9CYP2C19F10MMP2
SCHEMBL17715445 0.80 RXRA (0.57) CYP2C9CYP2C19CYP19A1RXRARXRB
SCHEMBL16906149 0.78 MMP2 (0.36) CYP2C9CYP2C19MMP2
SCHEMBL16906058 0.75 RXRA (0.51) CYP2C9CYP2C19RXRARXRBRXRG
SCHEMBL15072081 0.73 CYP2C9 (0.66) CYP2C9CYP2C19CYP19A1F10RXRA
Sandaracopimaric Acid SCHEMBL24575220 0.73 CYP2C9 (1.00) CYP2C9CYP2C19CYP19A1F10RXRA

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-9328260-B2 Polyester processes XEROX CORPORATION (US) 2016-05-03 — — US disclosed
US-20150197668-A1 POLYESTER PROCESSES XEROX CORPORATION (US) 2015-07-16 — — US disclosed
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