SCHEMBL7137249

SCHEMBL7137249

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)[C@@H]1OCCC1O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
CYP19A1 P11511 12/20 0.46
NR3C1 P04150 2/20 0.44
HIF1A Q16665 1/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
CNR1 P21554 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7132288 0.92 LMNA (0.47) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL7187631 0.92 LMNA (0.47) LMNAMAPTCYP19A1NR3C1HIF1A
Bicarbonate SCHEMBL7130344 0.87 LMNA (0.42) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL7136967 0.86 LMNA (0.48) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL7135801 0.83 LMNA (0.49) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL8587966 0.82 LMNA (0.54) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL5672145 0.81 LMNA (0.52) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL7877720 0.81 LMNA (0.52) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL7204662 0.79 LMNA (0.51) LMNAMAPTCYP19A1NR3C1HIF1A
SCHEMBL30915294 0.77 LMNA (0.48) LMNAMAPTCYP19A1CYP3A4

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
WO-2003062259-A2 NON-AROMATIC 17.ALPHA.-ESTERS OF ANDROSTANE-17.BETA.-CARBOXYLATE ESTERS AS ANTI-INFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 2003-07-31 WO disclosed