SCHEMBL20970940

SCHEMBL20970940

CC(C)c1c(O)c(O)cc2c1CC[C@H]1C(C)(C)CCC[C@]21C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.82
CYP3A4 P08684 5/20 0.72
TP53 P04637 4/20 0.72
MAPT P10636 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
MAPK1 P28482 2/20 0.72
HSP90AA1 P07900 1/20 0.72
KDM4E B2RXH2 1/20 0.72
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP19A1 P11511 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
PIK3CA P42336 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CB P42338 1/20 0.46
KARS1 Q15046 1/20 0.45
PIP5K1A Q99755 2/20 0.43
CETP P11597 2/20 0.41
FDPS P14324 1/20 0.41

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
SCHEMBL29669719 0.86 USP2 (0.68) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL13423504 0.84 CYP3A4 (1.00) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL30105648 0.84 CYP3A4 (1.00) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL16238019 0.84 CYP3A4 (1.00) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL285501 0.84 CYP3A4 (1.00) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL1839596 0.84 CYP3A4 (1.00) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL31121504 0.84 CYP3A4 (1.00) USP2CYP3A4TP53MAPTMEN1
Totarol SCHEMBL31287563 0.81 CYP3A4 (0.74) USP2CYP3A4TP53MAPTMEN1
SCHEMBL29637840 0.77 USP2 (0.50) USP2CYP3A4TP53MAPTMEN1
Ferruginol SCHEMBL13423521 0.76 KARS1 (0.73) USP2CYP3A4TP53MAPTMEN1

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-20190144481-A1 PROCESSED STACHYOSE COMPOSITIONS EPC NATURAL PRODUCTS CO., LTD. (CN) 2019-05-16 US disclosed