SCHEMBL16335327

SCHEMBL16335327

C[C@@H]1C[C@]23CC[C@H]4C(C)(C)CCC(O)[C@]4(C)[C@H]2CC[C@H]1C3

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PAX8 Q06710 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 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
SCHEMBL2396301 0.77 — —
SCHEMBL16335328 0.77 PTPN1 (0.42) —
SCHEMBL29552568 0.73 PTPN1 (0.41) —
SCHEMBL29404708 0.73 PTPN1 (0.41) —
SCHEMBL29366469 0.73 PTPN1 (0.41) —
SCHEMBL29421727 0.73 PTPN1 (0.41) —
SCHEMBL2025216 0.71 PTGES (0.43) LMNA
SCHEMBL2472081 0.68 PTPN1 (0.31) —
SCHEMBL107026 0.67 — —
SCHEMBL9616818 0.66 LMNA (0.36) LMNAHTTRAB9APAX8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053703-B2 Heterologous production of patchoulol, β-santalene, and sclareol in moss cells UNIVERSITY OF COPENHAGEN (DK) 2018-08-21 — — US disclosed
US-20160222401-A1 HETEROLOGOUS PRODUCTION OF PATCHOULOL, BETA-SANTALENE, AND SCLAREOL IN MOSS CELLS UNIVERSITY OF COPENHAGEN (DK) 2016-08-04 — — US disclosed
WO-2014206412-A1 HETEROLOGOUS PRODUCTION OF PATCHOULOL, BETA-SANTALENE, AND SCLAREOL IN MOSS CELLS Københavns Universitet (DK) 2014-12-31 — — WO disclosed
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