SCHEMBL29132019

SCHEMBL29132019

CCON(OCC)C1CC(O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 0.85
PAX8 Q06710 5/20 0.85
HSP90AA1 P07900 4/20 0.85
MEN1 O00255 8/20 0.78
KMT2A Q03164 8/20 0.78
THRB P10828 7/20 0.78
BLM P54132 7/20 0.78
RECQL P46063 6/20 0.78
BRCA1 P38398 6/20 0.78
TOP2A P11388 5/20 0.78
TDP1 Q9NUW8 5/20 0.78
HIF1A Q16665 5/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
MAPT P10636 4/20 0.78
MAPK1 P28482 4/20 0.78
PTGS1 P23219 3/20 0.78
CHRM1 P11229 3/20 0.78
TBXA2R P21731 3/20 0.78
KDM4E B2RXH2 3/20 0.78
ALDH1A1 P00352 3/20 0.78

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
SCHEMBL17514312 0.92 S100A4 (0.90) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL1485948 0.92 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL29648501 0.92 S100A4 (1.00) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL31238308 0.92 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL28160200 0.91 S100A4 (0.89) S100A4PAX8HSP90AA1MEN1KMT2A
Hydrochloric Acid SCHEMBL31237243 0.91 S100A4 (0.99) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL7805182 0.90 S100A4 (0.86) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL7801104 0.90 S100A4 (0.85) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL19732415 0.89 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL10182791 0.89 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A

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
CN-117279952-A Methods for treating cancer using subcutaneous administration of anti-PD 1 antibodies 默沙东有限责任公司 2023-12-22 CN disclosed