SCHEMBL11812693

SCHEMBL11812693

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

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.83
MMP1 P03956 16/20 0.83
PGR P06401 3/20 0.82
CYP3A4 P08684 2/20 0.82
MEN1 O00255 1/20 0.82
USP2 O75604 1/20 0.82
KMT2A Q03164 1/20 0.82
HIF1A Q16665 1/20 0.75

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
SCHEMBL6986508 1.00 NR3C1 (0.83) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL7547 1.00 NR3C1 (0.83) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL147590 0.99 NR3C1 (0.82) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL1265487 0.99 NR3C1 (0.82) NR3C1MMP1PGRCYP3A4MEN1
Dexamethasone SCHEMBL3681477 0.95 NR3C1 (0.84) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL16094588 0.93 NR3C1 (0.81) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11582615 0.93 NR3C1 (0.74) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11583661 0.93 NR3C1 (0.75) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11582612 0.93 NR3C1 (0.74) NR3C1MMP1PGRCYP3A4MEN1
SCHEMBL11582295 0.93 NR3C1 (0.74) NR3C1MMP1PGRCYP3A4MEN1

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-3944577-A Novel pregnane-21-oic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1976-03-16 US disclosed