SCHEMBL10868078

SCHEMBL10868078

CC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA6 P08185 6/20 0.80
SHBG P04278 8/20 0.69
LMNA P02545 7/20 0.69
SMN1; SMN2 Q16637 7/20 0.69
NR3C1 P04150 4/20 0.69
CYP2C19 P33261 4/20 0.69
BLM P54132 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MAPT P10636 3/20 0.69
ADORA3 P0DMS8 2/20 0.69
MAPK3 P27361 1/20 0.69
SLC6A3 Q01959 1/20 0.69
CYP17A1 P05093 2/20 0.66
ALDH1A1 P00352 5/20 0.65
PGR P06401 3/20 0.65
ADRA1A P35348 2/20 0.65
HTR2B P41595 2/20 0.65
TSHR P16473 5/20 0.60
HSD17B10 Q99714 4/20 0.60

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
SCHEMBL9221947 1.00 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL8755727 1.00 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL3052566 0.89 SERPINA6 (1.00) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL11682243 0.89 SERPINA6 (1.00) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL26178 0.89 SERPINA6 (1.00) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL9862485 0.89 HSD17B10 (0.71) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL9862493 0.89 HSD17B10 (0.71) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL7989813 0.88 SERPINA6 (0.69) SERPINA6SHBGLMNASMN1; SMN2NR3C1
SCHEMBL7989808 0.88 SERPINA6 (0.69) SERPINA6SHBGLMNASMN1; SMN2NR3C1
Acetic Acid SCHEMBL28423891 0.87 SERPINA6 (0.96) SERPINA6SHBGLMNASMN1; SMN2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179496-A1 16-Sulfinylmethyl-steroids, their preparation and use THE UPJOHN COMPANY (US) 1986-04-30 EP disclosed
EP-0104054-A2 16-methylene-steroids and their preparation THE UPJOHN COMPANY (US) 1984-03-28 EP disclosed