SCHEMBL31390163

SCHEMBL31390163

C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.78
▸ RXRB P28702 1/20 0.78
▸ RXRG P48443 1/20 0.78
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ ATM Q13315 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ PDK1 Q15118 2/20 0.39
▸ PDK2 Q15119 2/20 0.39
▸ PDK3 Q15120 2/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
Isopimaric Acid SCHEMBL234276 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL2603438 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL4549113 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL15339339 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL12732275 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL13702083 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL15744757 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL15744755 0.88 RXRA (1.00) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL17742302 0.88 RXRA (0.60) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL17742300 0.88 RXRA (0.60) 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
CN-119350160-A Preparation method of isopimaric acid 江西兴泰化工有限公司 2025-01-24 — — CN disclosed
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