SCHEMBL16393333

SCHEMBL16393333

C[C@H]1CCC2C3CCc4cc(O[Si](C)(C)C(C)(C)C)ccc4C3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
HSD17B10 Q99714 5/20 0.59
ESR1 P03372 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ADORA3 P0DMS8 2/20 0.57
ATM Q13315 2/20 0.57
PGR P06401 2/20 0.57
AR P10275 2/20 0.57
SLC6A3 Q01959 2/20 0.57
CHRM1 P11229 1/20 0.57
TBXA2R P21731 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ABCC4 O15439 2/20 0.55
ABCC1 P33527 1/20 0.55
HSD11B1 P28845 1/20 0.55
STS P08842 3/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL2610024 1.00 LMNA (0.59) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL16393331 0.90 HSD17B10 (0.74) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL5155673 0.90 HSD17B10 (0.74) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL14026325 0.90 HSD17B10 (0.74) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL795948 0.88 LMNA (0.57) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL14026326 0.88 LMNA (0.57) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL17808696 0.85 LMNA (0.60) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL17121947 0.85 LMNA (0.53) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL10079788 0.84 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2ADORA3
SCHEMBL13015302 0.84 LMNA (0.77) LMNAHSD17B10ESR1SMN1; SMN2ADORA3

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-2015006691-A1 PRO-DRUG FORMING COMPOUNDS EVESTRA, INC. (US) 2015-01-15 WO disclosed