SCHEMBL11516233

SCHEMBL11516233

CC(OC(=O)C(C)(C)C)[C@H]1CC[C@@]2(O)[C@]3(O)C=CC4=CC(=O)CC[C@]4(CO)[C@H]3CC[C@]12C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
PDE4D Q08499 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
SCHEMBL11517782 0.90
SCHEMBL11649963 0.88
SCHEMBL11516228 0.78 PGR (0.38) TDP1LMNANR3C1PGRPDE4D
SCHEMBL11519477 0.78 PGR (0.38) TDP1LMNANR3C1PGRPDE4D
SCHEMBL11649488 0.78
SCHEMBL11515543 0.76 CYP19A1 (0.33) LMNANR3C1PGR
SCHEMBL11516496 0.72 LMNA (0.33) LMNANR3C1PGR
SCHEMBL11516494 0.72 LMNA (0.33) LMNANR3C1PGR
SCHEMBL11741911 0.71 PGR (0.48) TDP1LMNANR3C1PGRPDE4D
SCHEMBL11741906 0.71 PGR (0.48) TDP1LMNANR3C1PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134891-A 14-Functionalized 8,19-oxido steroids and processes for preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1979-01-16 US disclosed
US-4102883-A 19,8-Lactone steroid derivatives and processes of preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1978-07-25 US disclosed
US-4096142-A 14,19-Dioxygenated steroid compounds and their 14-dehydro analogs and process for the preparation thereof STEELE CHEMICALS CO. LTD. (CA) 1978-06-20 US disclosed