SCHEMBL8661015

SCHEMBL8661015

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(=O)CCO)C(=O)SC1CCOC1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
CYP19A1 P11511 9/20 0.42
NR3C1 P04150 3/20 0.40
CYP3A4 P08684 2/20 0.40
PGR P06401 2/20 0.39
HIF1A Q16665 1/20 0.39
NR1I2 O75469 1/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1847854 1.00 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6521590 1.00 LMNA (0.44) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6676011 0.93 LMNA (0.45) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL8695467 0.90 LMNA (0.43) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL7877720 0.86 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL5672145 0.86 LMNA (0.52) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL3396581 0.83 LMNA (0.51) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL15994233 0.83 LMNA (0.51) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6888641 0.81 CYP19A1 (0.36) LMNAMAPTCYP19A1NR3C1CYP3A4
SCHEMBL6036866 0.81 CYP19A1 (0.36) LMNAMAPTCYP19A1NR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876392-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-11-11 EP claimed
WO-1997024365-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-07-10 WO claimed
EP-0876392-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-11-11 EP disclosed
WO-1997024365-A1 LACTONE DERIVATIVES OF 17.BETA.-CARBOXY, CARBOTHIO AND AMIDE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-07-10 WO disclosed