SCHEMBL8244358

SCHEMBL8244358

C[C@H]1C(=O)OC2CC34C5C[C@@H](C(C)(C)C)C36C(OC(=O)[C@@H]6O)OC4(C(O)O5)[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 6/20 0.49
GLRA2 P23416 6/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
PTAFR P25105 4/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GUSB P08236 1/20 0.43
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL13702711 0.82 GLRA1 (0.56) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL13702857 0.82 GLRA1 (0.56) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL8245345 0.82 GLRA1 (0.56) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL13702712 0.82 GLRA1 (0.56) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL8247069 0.73 GLRA1 (0.55) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL13702839 0.69 GLRA1 (0.64) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL14047657 0.67 GLRA1 (0.63) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL13702895 0.67 GLRA1 (0.77) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL13702686 0.67 GLRA1 (0.77) GLRA1GLRA2KMT2ASMN1; SMN2MEN1
SCHEMBL13702641 0.67 GLRA1 (0.77) GLRA1GLRA2KMT2ASMN1; SMN2MEN1

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
WO-2007002410-A2 CORE-MODIFIED TERPENE TRILACTONES FROM GINKGO BILOBA EXTRACT AND BIOLOGICAL EVALUATION THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-01-04 WO disclosed