Abietic Acid

Abietic Acid

SCHEMBL5711211

CC(C)C1=CC2=CCC3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1.CC(C)C1=CC2=CCC3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1.CC(C)C1=CC2=CCC3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1.CC(C)C1=CC2=CCC3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1.CC(C)C1=CC2=CCC3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1.CC(C)C1=CC2=CCC3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1.[Mo+6]

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.83
▸ PDK2 Q15119 2/20 0.83
▸ PDK3 Q15120 2/20 0.83
▸ PDK4 Q16654 2/20 0.83
▸ HSD17B10 Q99714 3/20 0.80
▸ ALOX15 P16050 3/20 0.80
▸ LMNA P02545 3/20 0.80
▸ ALDH1A1 P00352 2/20 0.80
▸ CYP3A4 P08684 2/20 0.80
▸ CYP2C9 P11712 2/20 0.80
▸ CYP2C19 P33261 2/20 0.80
▸ SLCO1B3 Q9NPD5 1/20 0.80
▸ SLCO1B1 Q9Y6L6 1/20 0.80
▸ GABRA1 P14867 1/20 0.80
▸ GABRB2 P47870 1/20 0.80
▸ MAPT P10636 1/20 0.80
▸ KDM4E B2RXH2 1/20 0.80
▸ MEN1 O00255 1/20 0.75
▸ KMT2A Q03164 1/20 0.75
▸ MAPK1 P28482 1/20 0.64

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
Abietic Acid SCHEMBL8335225 0.99 HSD17B10 (0.81) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL8335223 0.99 HSD17B10 (0.81) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL30176404 0.99 HSD17B10 (0.81) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL324775 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL5711355 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL1317076 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL2373053 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL10524200 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL16401716 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10
Abietic Acid SCHEMBL600776 0.98 HSD17B10 (0.80) PDK1PDK2PDK3PDK4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825275-B2 MIXTURE OF NICKEL AND MOLYBDENUM COMPOUNDS; HEXAMETHYLENETETRAMINE AND METAMINE DERIVATIVE; PHENOL OR CRESOL RESINS, RESORCIN OR DERIVATIVES; AND CALCIUM COMPOUND TOYO TIRE & RUBBER CO., LTD. (JP) 2004-11-30 — — US claimed
EP-1176166-B1 Rubber composition for adhering to steel cords TOYO TIRE & RUBBER CO (JP) 2006-10-25 — — EP disclosed
EP-1184410-B1 Rubber composition for adhering to steel cords TOYO TIRE & RUBBER CO (JP) 2006-10-25 — — EP disclosed
US-6825275-B2 MIXTURE OF NICKEL AND MOLYBDENUM COMPOUNDS; HEXAMETHYLENETETRAMINE AND METAMINE DERIVATIVE; PHENOL OR CRESOL RESINS, RESORCIN OR DERIVATIVES; AND CALCIUM COMPOUND TOYO TIRE & RUBBER CO., LTD. (JP) 2004-11-30 — — US disclosed
US-20040044140-A1 Rubber composition for adhering to steel cords TOYO TIRE & RUBBER CO., LTD. (JP) 2004-03-04 — — US disclosed
US-6627687-B2 Natural rubber and/or diene synthetic rubber, mixture of a compounds containing nickel, molybdenum, or cobalt; heat resistance, tires TOYO TIRE & RUBBER CO., LTD. (JP) 2003-09-30 — — US disclosed
US-20020045687-A1 Rubber composition for adhering to steel cords TOYO TIRE & RUBBER CO., LTD. (JP) 2002-04-18 — — US disclosed
EP-1184410-A2 Rubber composition for adhering to steel cords TOYO TIRE & RUBBER CO., LTD . (JP) 2002-03-06 — — EP disclosed
EP-1176166-A2 Rubber composition for adhering to steel cords TOYO TIRE & RUBBER CO., LTD . (JP) 2002-01-30 — — EP disclosed
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