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Clocortolone Pivalate

Clocortolone Pivalate

SCHEMBL6834795

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR3C1

The experimentally established mechanism targets of Clocortolone Pivalate. 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
▸ NR3C1 known ✓ P04150 5/20 0.47
▸ PGR P06401 10/20 1.00
▸ AR P10275 9/20 1.00
▸ HIF1A Q16665 9/20 1.00
▸ CYP3A4 P08684 6/20 1.00
▸ ADORA3 P0DMS8 4/20 1.00
▸ NR1I2 O75469 3/20 0.62
▸ HTR2B P41595 1/20 0.62
▸ CHRM1 P11229 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ABCB11 O95342 2/20 0.47
▸ ADRA1A P35348 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
Clocortolone Pivalate SCHEMBL32668843 1.00 PGR (1.00) PGRARHIF1ACYP3A4ADORA3
Clocortolone Pivalate SCHEMBL13423591 1.00 PGR (1.00) PGRARHIF1ACYP3A4ADORA3
Clocortolone Pivalate SCHEMBL10052573 1.00 PGR (1.00) PGRARHIF1ACYP3A4ADORA3
Clocortolone Pivalate SCHEMBL5120 1.00 PGR (1.00) PGRARHIF1ACYP3A4ADORA3
Clocortolone Acetate SCHEMBL618722 0.91 PGR (0.84) PGRARHIF1ACYP3A4ADORA3
SCHEMBL11315922 0.91 PGR (0.83) PGRARHIF1ACYP3A4ADORA3
SCHEMBL22171576 0.91 PGR (0.83) PGRARHIF1ACYP3A4ADORA3
SCHEMBL11118121 0.91 PGR (0.83) PGRARHIF1ACYP3A4ADORA3
Diflucortolone Pivalate SCHEMBL668257 0.90 PGR (0.81) PGRARHIF1ACYP3A4ADORA3
Diflucortolone Pivalate SCHEMBL668256 0.90 PGR (0.81) PGRARHIF1ACYP3A4ADORA3

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
US-6753164-B2 FOR DIAGNOSIS, PROPHYLAXIS AND THERAPY OF CANCER, INFLAMMATION, NEUROLOGICAL DISORDERS AND IMMUNE DISEASES AND/OR DISORDERS HUMAN GENOME SCIENCES, INC. 2004-06-22 — — US disclosed
US-20020160491-A1 Human Serpin polynucleotides, polypeptides, and antibodies HUMAN GENOME SCIENCES, INC. 2002-10-31 — — US disclosed