SCHEMBL11747490

SCHEMBL11747490

CC(C)(C)NC(=O)OC[C@]12CCC(=O)C=C1C=C[C@@]1(O)[C@@H]2CC[C@]2(C)[C@@H](OC(=O)C(C)(C)C)CC[C@@H]12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
NR1I2 O75469 2/20 0.32
NR3C1 P04150 2/20 0.32
PGR P06401 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP17A1 P05093 1/20 0.31
AR P10275 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
OPRK1 P41145 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 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
SCHEMBL11745349 0.87 LMNA (0.35) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11744273 0.87 LMNA (0.35) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11744287 0.87 LMNA (0.35) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11747397 0.74 LMNA (0.31) LMNANR1I2NR3C1PGRCYP19A1
SCHEMBL11743424 0.74 NR1I2 (0.35) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11746766 0.72 CYP19A1 (0.39) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11748161 0.72 LMNA (0.37) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11746771 0.72 CYP19A1 (0.37) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11749436 0.69 LMNA (0.40) LMNANR1I2NR3C1PGRCYP3A4
SCHEMBL11745681 0.69 LMNA (0.40) LMNANR1I2NR3C1PGRCYP3A4

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