SCHEMBL16335328

SCHEMBL16335328

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.42
▸ BCHE P06276 1/20 0.40
▸ TOP2A P11388 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ HSD11B2 P80365 1/20 0.36
▸ NR1H4 Q96RI1 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
SCHEMBL2025216 0.82 PTGES (0.43) PTPN1CES1USP2HSD11B1NR1H4
SCHEMBL2396303 0.77 PTPN1 (0.39) PTPN1
SCHEMBL16335327 0.77 LMNA (0.36) —
SCHEMBL29366469 0.76 PTPN1 (0.41) PTPN1HSD11B1HSD11B2NR1H4
SCHEMBL29421727 0.76 PTPN1 (0.41) PTPN1HSD11B1HSD11B2NR1H4
SCHEMBL29552568 0.76 PTPN1 (0.41) PTPN1HSD11B1HSD11B2NR1H4
SCHEMBL29404708 0.76 PTPN1 (0.41) PTPN1HSD11B1HSD11B2NR1H4
SCHEMBL3513520 0.74 HSD11B1 (0.57) PTPN1BCHEHSD11B1HSD11B2NR1H4
SCHEMBL17027695 0.74 HSD11B1 (0.57) PTPN1BCHEHSD11B1HSD11B2NR1H4
SCHEMBL2021012 0.72 PTPN1 (0.59) PTPN1BCHEHSD11B1

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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