SCHEMBL11585136

SCHEMBL11585136

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC(O)[C@](OC(=O)c4ccccc4)(C(=O)CO)[C@@]3(C)CC(O)[C@@]12F

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.67
PGR P06401 5/20 0.67
CYP3A4 P08684 5/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
USP2 O75604 1/20 0.67
MMP1 P03956 10/20 0.67
HIF1A Q16665 5/20 0.67
HSD17B10 Q99714 4/20 0.67
LMNA P02545 2/20 0.67
CYP2C9 P11712 2/20 0.67
NFKB1 P19838 2/20 0.67
CYP2J2 P51589 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
CYP2C19 P33261 1/20 0.67
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62

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
Betamethasone Benzoate SCHEMBL2954925 0.94 NR3C1 (0.77) NR3C1PGRCYP3A4MEN1KMT2A
Betamethasone Benzoate SCHEMBL11877997 0.94 NR3C1 (0.77) NR3C1PGRCYP3A4MEN1KMT2A
Betamethasone Benzoate SCHEMBL49469 0.94 NR3C1 (0.77) NR3C1PGRCYP3A4MEN1KMT2A
Betamethasone Benzoate SCHEMBL11878006 0.94 NR3C1 (0.77) NR3C1PGRCYP3A4MEN1KMT2A
Betamethasone Benzoate SCHEMBL21682645 0.92 NR3C1 (0.77) NR3C1PGRCYP3A4MEN1KMT2A
SCHEMBL11583704 0.91 HIF1A (0.66) NR3C1PGRCYP3A4USP2MMP1
SCHEMBL11583702 0.91 HIF1A (0.66) NR3C1PGRCYP3A4USP2MMP1
Betamethasone Benzoate SCHEMBL6898101 0.89 NR3C1 (0.88) NR3C1PGRCYP3A4MEN1KMT2A
SCHEMBL11582821 0.87 NR3C1 (0.80) NR3C1PGRCYP3A4MEN1KMT2A
SCHEMBL11582817 0.87 NR3C1 (0.80) NR3C1PGRCYP3A4MEN1KMT2A

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-4124707-A 7α-Halogeno-3,20-dioxo-1,4-pregnadienes, methods for their manufacture, their use as anti-inflammatory agents, and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1978-11-07 US disclosed