Clobetasol

Clobetasol

SCHEMBL16099014

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

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

The experimentally established mechanism targets of Clobetasol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR known ✓ P10275 4/20 0.67
▸ NR3C1 P04150 9/20 0.69
▸ CYP3A4 P08684 6/20 0.67
▸ HIF1A Q16665 5/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ PGR P06401 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ APEX1 P27695 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ IKBKB O14920 1/20 0.67
▸ CHUK O15111 1/20 0.67
▸ ADRB2 P07550 1/20 0.67
▸ NR3C2 P08235 1/20 0.67
▸ PLA2G2A P14555 1/20 0.67
▸ NFKB2 Q00653 1/20 0.67

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
Dexamethasone SCHEMBL143971 0.94 NR3C1 (0.77) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL5034390 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL30915305 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL7616575 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL5034388 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL19327129 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL8602501 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL1651129 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL13046611 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10
Clobetasol SCHEMBL3996 0.88 NR3C1 (0.85) NR3C1CYP3A4HIF1AARHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968368-A2 CRANIAL DELIVERY OF PHARMACEUTICALS Glia LLC (US) 2016-01-20 — — EP disclosed
WO-2014152385-A2 CRANIAL DELIVERY OF PHARMACEUTICALS GLIA, LLC (US) 2014-09-25 — — WO disclosed
Send feedback