SCHEMBL9201140

SCHEMBL9201140

CCOC(=O)c1[c]c(OC(C)=O)ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 2/20 0.37
CLEC4M Q9H2X3 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL27556991 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL131249 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL1451151 0.77 HSD17B10 (0.46) HSD17B10KDM4ETSHRMAPTALDH1A1
SCHEMBL9196323 0.77 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL9195029 0.77 LMNA (0.45) NPC1RAB9ATSHRMAPTALDH1A1
SCHEMBL9181001 0.76 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6784218 0.76 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6847160 0.76 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL27349155 0.71 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL3667955 0.70 CA1 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP claimed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO claimed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed