SCHEMBL21977552

SCHEMBL21977552

C=CC1(C)CCC2C(=CCC3C(C)(CO)CCCC23C)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.71
▸ RXRB P28702 1/20 0.71
▸ RXRG P48443 1/20 0.71
▸ LMNA P02545 2/20 0.49
▸ NR1H3 Q13133 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ HSD11B2 P80365 1/20 0.39
▸ PTPN1 P18031 3/20 0.38
▸ BCHE P06276 3/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACHE P22303 1/20 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
SCHEMBL28276365 1.00 RXRA (0.71) RXRARXRBRXRGLMNANR1H3
SCHEMBL29564130 1.00 RXRA (0.71) RXRARXRBRXRGLMNANR1H3
SCHEMBL4347562 0.84 RXRA (0.71) RXRARXRBRXRGNR1H3CYP2C9
SCHEMBL17375882 0.84 RXRA (0.71) RXRARXRBRXRGNR1H3CYP2C9
SCHEMBL106803 0.84 RXRA (0.71) RXRARXRBRXRGNR1H3CYP2C9
SCHEMBL13923377 0.83 ALDH1A1 (0.51) RXRARXRBRXRGLMNANR1H3
Isopimaric Acid SCHEMBL4549113 0.83 RXRA (1.00) RXRARXRBRXRGLMNANR1H3
Isopimaric Acid SCHEMBL15744757 0.83 RXRA (1.00) RXRARXRBRXRGLMNANR1H3
Isopimaric Acid SCHEMBL15339339 0.83 RXRA (1.00) RXRARXRBRXRGLMNANR1H3
Isopimaric Acid SCHEMBL12732275 0.83 RXRA (1.00) RXRARXRBRXRGLMNANR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670490-B1 METHOD OF PURIFYING PINE CHEMICAL COMPOSITIONS FROM ALDEHYDES KRATON POLYMERS LLC (US) 2023-01-18 — — EP disclosed
US-10822302-B2 Method of purifying pine chemical compositions from aldehydes KRATON POLYMERS LLC (US) 2020-11-03 — — US disclosed
EP-3670490-A1 METHOD OF PURIFYING PINE CHEMICAL COMPOSITIONS FROM ALDEHYDES Kraton Polymers LLC (US) 2020-06-24 — — EP disclosed
US-20200165191-A1 Method of Purifying Pine Chemical Compositions from Aldehydes KRATON POLYMERS LLC (US) 2020-05-28 — — US disclosed
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