SCHEMBL11430576

SCHEMBL11430576

COC(=O)O[C@]1(C(=O)COC(C)=O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.88
PGR P06401 8/20 0.88
HIF1A Q16665 7/20 0.88
AR P10275 7/20 0.88
CYP3A4 P08684 4/20 0.88
ALDH1A1 P00352 3/20 0.88
SMN1; SMN2 Q16637 2/20 0.88
CYP1A2 P05177 1/20 0.88
ADORA3 P0DMS8 3/20 0.67
CHRM1 P11229 1/20 0.67
ADRA1A P35348 1/20 0.67
LMNA P02545 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
NR3C2 P08235 2/20 0.61
NR1I2 O75469 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 2/20 0.61
ABCB11 O95342 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL11424701 0.95 NR3C1 (0.80) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL11020196 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL11020199 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL14410916 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL10599667 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL7101720 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL14339606 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
Diflorasone Diacetate SCHEMBL4556 0.94 HIF1A (1.00) NR3C1PGRHIF1AARCYP3A4
SCHEMBL11423833 0.93 NR3C1 (0.87) NR3C1PGRHIF1AARCYP3A4
SCHEMBL11422651 0.92 NR3C1 (0.75) NR3C1PGRHIF1AARCYP3A4

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-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 US disclosed