SCHEMBL9471626

SCHEMBL9471626

CC(C)C1=CCC2=C(CC[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.50
▸ RXRA P19793 1/20 0.50
▸ CCNE1 P24864 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ RXRB P28702 1/20 0.50
▸ RXRG P48443 1/20 0.50
▸ NR1I2 O75469 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ SLCO1B3 Q9NPD5 1/20 0.47
▸ SLCO1B1 Q9Y6L6 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB2 P47870 1/20 0.47

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
SCHEMBL31255972 0.83 CYP3A4 (0.43) KARS1HSD17B10ALOX15CYP3A4MAPT
SCHEMBL29399820 0.83 CYP3A4 (0.43) KARS1HSD17B10ALOX15CYP3A4MAPT
SCHEMBL151741 0.78 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
SCHEMBL151743 0.78 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
SCHEMBL151742 0.78 KARS1 (0.56) KARS1RXRACCNE1CDK2RXRB
SCHEMBL2603440 0.73 KARS1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL9471891 0.73 KARS1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL12547207 0.73 KARS1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15603521 0.70 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15603520 0.70 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB

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
US-5248696-A Abietanoic acid derivatives WORLD RESEARCH INSTITUTE FOR SCIENCE AND TECHNOLOGY, INC. (US) 1993-09-28 — — US claimed
WO-1992018119-A1 COMPOSITION AND METHOD FOR TREATING TUMORS WORLD RESEARCH INSTITUTE FOR SCIENCE AND TECHNOLOGY, INC. (US) 1992-10-29 — — WO claimed
US-5248696-A Abietanoic acid derivatives WORLD RESEARCH INSTITUTE FOR SCIENCE AND TECHNOLOGY, INC. (US) 1993-09-28 — — US disclosed
WO-1992018119-A1 COMPOSITION AND METHOD FOR TREATING TUMORS WORLD RESEARCH INSTITUTE FOR SCIENCE AND TECHNOLOGY, INC. (US) 1992-10-29 — — WO disclosed
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