SCHEMBL4593503

SCHEMBL4593503

C=C(C)C1CC(O)(C(=C)C)CC=C1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.30

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
SCHEMBL1496240 0.64 TSHR (0.32) TP53TSHR
SCHEMBL29209964 0.64 LMNA (0.36) LMNA
SCHEMBL524697 0.64 LMNA (0.36) LMNA
SCHEMBL29209906 0.64 LMNA (0.36) LMNA
SCHEMBL22547115 0.58 LMNA (0.31) TP53TSHRLMNA
SCHEMBL22547151 0.58 LMNA (0.31) TP53TSHRLMNA
SCHEMBL14501713 0.57 LMNA (0.44) TP53TSHRLMNA
SCHEMBL5447682 0.57 LMNA (0.44) TP53TSHRLMNA
SCHEMBL5447677 0.57 LMNA (0.44) TP53TSHRLMNA
SCHEMBL5448238 0.57 LMNA (0.44) TP53TSHRLMNA

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
EP-1773741-A4 SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF LONG RANGE INTERNAT USA LTD IN (US) 2008-07-09 EP disclosed
EP-1773741-A2 SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF Long Range International USA Limited, Inc. (US) 2007-04-18 EP disclosed
WO-2006016912-A2 SYNTHESIS OF (-)-BETA-ELEMENE, (-)-BETA-ELEMENAL, (-)-BETA-ELEMENOL, (-)-BETA-ELEMENE FLUORIDE AND THEIR ANALOGUES, INTERMEDIATES AND COMPOSITION AND USES THEREOF LONG RANGE INTERNATIONAL USA LIMITED, INC. (US) 2006-02-16 WO disclosed