SCHEMBL12659027

SCHEMBL12659027

C=C(C)CC[C@H]1C(=O)CC[C@H]2C(C)(C)CCC[C@]12C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.44
▸ PTPN2 P17706 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ RPS6KA5 O75582 2/20 0.41
▸ MAPKAPK2 P49137 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL15945065 0.88 PTPN2 (0.44) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL14722991 0.88 PTPN2 (0.44) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL12658772 0.88 PTPN2 (0.44) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25666955 0.85 PNLIP (0.53) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25667484 0.85 PNLIP (0.53) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25434656 0.80 PNLIP (0.46) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25439738 0.80 PNLIP (0.46) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25436685 0.80 PNLIP (0.46) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL31592688 0.80 PNLIP (0.46) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL30585227 0.80 PNLIP (0.46) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2

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
EP-2143703-B1 Method for the preparation of (+)-totarol COGNIS IP MAN GMBH (DE) 2011-05-18 — — EP disclosed
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