SCHEMBL6885651

SCHEMBL6885651

COc1cccc(C=CC(=O)OC2CCC3(CO3)C(C)C2OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.49
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAOB P27338 4/20 0.42
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
BCHE P06276 1/20 0.42
MAOA P21397 2/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1B1 Q16678 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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 0.88 METAP2 (0.53) METAP2ALDH1A1LMNAMAPTRAB9A
SCHEMBL6882899 0.88 METAP2 (0.53) METAP2ALDH1A1LMNAMAPTRAB9A
SCHEMBL6884951 0.73 ALDH1A1 (0.45) HPGDKDM4EALDH1A1MAOBFOS
SCHEMBL6886683 0.70 METAP2 (0.49) METAP2ALDH1A1LMNAMAPTRAB9A
SCHEMBL6886738 0.70 METAP2 (0.47) METAP2ALDH1A1LMNAMAPTRAB9A
SCHEMBL6886678 0.70 METAP2 (0.49) METAP2ALDH1A1LMNAMAPTRAB9A
SCHEMBL6884374 0.70 METAP2 (0.47) METAP2ALDH1A1LMNAMAPTRAB9A
SCHEMBL7459014 0.70 METAP2 (0.77) METAP2ALDH1A1LMNAMAPTMEN1
SCHEMBL13799963 0.70 METAP2 (0.77) METAP2ALDH1A1LMNAMAPTMEN1
SCHEMBL23710407 0.69 METAP2 (0.81) METAP2ALDH1A1LMNAMAPTMEN1

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