SCHEMBL9501753

SCHEMBL9501753

CC(=O)O[C@]1(C(=O)C(O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
CYP19A1 P11511 12/20 0.52
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PGR P06401 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL10938025 0.91 LMNA (0.60) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL10936974 0.91 LMNA (0.60) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL10938022 0.91 LMNA (0.60) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL10936967 0.91 LMNA (0.60) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL6449571 0.90 LMNA (0.65) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL6447018 0.90 LMNA (0.65) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL11822457 0.90 LMNA (0.58) LMNAMAPTCYP19A1CYP3A4PGR
SCHEMBL5493606 0.87 LMNA (0.56) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL11817969 0.87 LMNA (0.62) LMNAMAPTCYP19A1CYP3A4KMT2A
SCHEMBL10938075 0.86 LMNA (0.61) LMNAMAPTCYP19A1CYP3A4KMT2A

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-0256095-B1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1993-05-19 EP disclosed
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 EP disclosed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 EP disclosed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 WO disclosed