SCHEMBL6882899

SCHEMBL6882899

COc1ccc(C=CC(=O)O[C@@H]2CC[C@]3(CO3)[C@@H](C)[C@@H]2OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.53
HTT P42858 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
F3 P13726 1/20 0.42
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GSK3B P49841 1/20 0.40
ABCB1 P08183 2/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6882901 1.00 METAP2 (0.53) METAP2HTTTRPM8F3RAB9A
SCHEMBL6885651 0.88 METAP2 (0.49) METAP2TRPM8RAB9AMEN1MAPT
SCHEMBL6884374 0.81 METAP2 (0.47) METAP2HTTTRPM8F3RAB9A
SCHEMBL6886678 0.81 METAP2 (0.49) METAP2HTTTRPM8RAB9AMEN1
SCHEMBL6886738 0.81 METAP2 (0.47) METAP2HTTTRPM8F3RAB9A
SCHEMBL6886683 0.81 METAP2 (0.49) METAP2HTTTRPM8RAB9AMEN1
SCHEMBL23710407 0.80 METAP2 (0.81) METAP2MEN1MAPTKMT2AABCB11
SCHEMBL6883789 0.80 METAP2 (0.81) METAP2MEN1MAPTKMT2AABCB11
SCHEMBL21582882 0.80 METAP2 (0.81) METAP2MEN1MAPTKMT2AABCB11
SCHEMBL19254377 0.80 METAP2 (0.57) METAP2HTTRAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803382-B2 1-OXASPIRO(2,5)OCTAN-6-OL DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-10-12 US claimed
US-6803382-B2 1-OXASPIRO(2,5)OCTAN-6-OL DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-10-12 US disclosed