SCHEMBL11744273

SCHEMBL11744273

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
PGR P06401 4/20 0.35
NR1I2 O75469 3/20 0.35
CYP3A4 P08684 3/20 0.35
NR3C1 P04150 3/20 0.35
AR P10275 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP17A1 P05093 2/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 8/20 0.35
ALDH1A1 P00352 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
OR51E2 Q9H255 1/20 0.32
TDP1 Q9NUW8 2/20 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
SCHEMBL11744287 1.00 LMNA (0.35) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11745349 1.00 LMNA (0.35) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11747490 0.87 LMNA (0.32) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11745681 0.80 LMNA (0.40) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11749436 0.80 LMNA (0.40) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11745689 0.78 LMNA (0.39) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11746471 0.77 PGR (0.51) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11748161 0.75 LMNA (0.37) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11517544 0.72 PGR (0.41) LMNAPGRNR1I2CYP3A4NR3C1
SCHEMBL11746766 0.71 CYP19A1 (0.39) LMNAPGRNR1I2CYP3A4NR3C1

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