SCHEMBL11747397

SCHEMBL11747397

CC(C)(C)NC(=O)OC[C@]12CCC(=O)C=C1C=CC1=C3CC[C@H](OC(=O)C(C)(C)C)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
NR1I2 O75469 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
CYP19A1 P11511 4/20 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
SCHEMBL11516633 0.86 CYP19A1 (0.34) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11652643 0.78 PGR (0.32) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11516911 0.77 CYP19A1 (0.33) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11516914 0.77 CYP19A1 (0.33) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11747974 0.77 LMNA (0.31) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11747968 0.77 LMNA (0.31) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11747490 0.74 LMNA (0.32) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11748714 0.72
SCHEMBL11744396 0.71 CYP19A1 (0.30) CYP19A1
SCHEMBL11744390 0.71 CYP19A1 (0.30) CYP19A1

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