SCHEMBL11744702

SCHEMBL11744702

C[C@H](OC(=O)C(C)(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.30
AR P10275 2/20 0.30
NR3C2 P08235 1/20 0.30
LMNA P02545 1/20 0.30
NR1I2 O75469 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL11745254 0.82 CYP17A1 (0.37) PGRARNR3C2LMNANR3C1
SCHEMBL11745251 0.82 CYP17A1 (0.37) PGRARNR3C2LMNANR3C1
SCHEMBL11743388 0.82 PGR (0.32) PGRARNR3C2LMNANR1I2
SCHEMBL11747455 0.78 CYP19A1 (0.31)
SCHEMBL11747464 0.78 CYP19A1 (0.31)
SCHEMBL11516496 0.76 LMNA (0.33) PGRLMNANR1I2NR3C1
SCHEMBL11516494 0.76 LMNA (0.33) PGRLMNANR1I2NR3C1
SCHEMBL11747968 0.73 LMNA (0.31) PGRLMNANR1I2NR3C1
SCHEMBL11747974 0.73 LMNA (0.31) PGRLMNANR1I2NR3C1
SCHEMBL11744396 0.73 CYP19A1 (0.30)

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-4058539-A 4,6,8(14)-Triene steroids STEELE CHEMICALS CO. LTD. (CA) 1977-11-15 US disclosed