SCHEMBL9471891

SCHEMBL9471891

CC(C)[C@H]1CCC2=C(CC[C@H]3[C@](C)(C(=O)O)CCC[C@]23C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.47
▸ RXRA P19793 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ RXRG P48443 1/20 0.47
▸ NR1I2 O75469 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ POLA1 P09884 4/20 0.43
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ NR1H3 Q13133 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ PTGS1 P23219 2/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL12547207 1.00 KARS1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL2603440 1.00 KARS1 (0.47) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19924625 0.87 CYP3A4 (0.49) KARS1RXRACCNE1CDK2RXRB
SCHEMBL23188046 0.82 CYP3A4 (0.37) KARS1RXRACCNE1CDK2RXRB
SCHEMBL16902970 0.80 NR1H2 (0.37) KARS1RXRACCNE1CDK2RXRB
SCHEMBL17429269 0.79 NR1H2 (0.36) KARS1RXRACCNE1CDK2RXRB
SCHEMBL17429276 0.78 NR1H2 (0.37) KARS1RXRACCNE1CDK2RXRB
SCHEMBL17429271 0.78 NR1H2 (0.36) KARS1RXRACCNE1CDK2RXRB
SCHEMBL17429272 0.78 NR1H2 (0.37) KARS1RXRACCNE1CDK2RXRB
SCHEMBL17429273 0.77 NR1H2 (0.36) 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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