SCHEMBL6675106

SCHEMBL6675106

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CN1CCN(CCCOC(=O)c2ccc(CCl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.60
▸ HIF1A Q16665 4/20 0.60
▸ LMNA P02545 2/20 0.59
▸ NR3C1 P04150 11/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TNF P01375 2/20 0.54
▸ AR P10275 2/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ IL6 P05231 1/20 0.54
▸ SERPINA6 P08185 1/20 0.54
▸ NR3C2 P08235 1/20 0.54
▸ GLUL P15104 1/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ GPBAR1 Q8TDU6 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KMT2A Q03164 1/20 0.51
▸ USP2 O75604 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL4091523 0.96 PGR (0.61) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13692224 0.91 PGR (0.63) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL6678012 0.91 HIF1A (0.57) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL4097537 0.89 PGR (0.69) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL4103929 0.89 PGR (0.75) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13694233 0.88 HIF1A (0.58) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13692244 0.88 HIF1A (0.58) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL4091992 0.88 HIF1A (0.58) PGRHIF1ALMNANR3C1CYP3A4
Hydrochloric Acid SCHEMBL5972770 0.87 HIF1A (0.58) PGRHIF1ALMNANR3C1CYP3A4
SCHEMBL13694190 0.87 HIF1A (0.67) PGRHIF1ALMNANR3C1CYP3A4

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-1470150-A2 CORTICOSTEROIDS NITRATE DERIVATIVES Nicox S.A. (FR) 2004-10-27 — — EP disclosed
WO-2003064443-A2 NEW CORTICOSTEROIDS NICOX S.A. (FR) 2003-08-07 — — WO disclosed
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