SCHEMBL11119964

SCHEMBL11119964

C[C@H]1C[C@@H]2[C@H](C(O)C[C@@]3(C)[C@H]2CC[C@]3(OC(=O)c2ccccc2)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.67
▸ CYP3A4 P08684 7/20 0.67
▸ PGR P06401 5/20 0.67
▸ HIF1A Q16665 4/20 0.67
▸ HSD17B10 Q99714 4/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ NR3C2 P08235 3/20 0.60
▸ AR P10275 3/20 0.58
▸ F2 P00734 1/20 0.58
▸ CYP2C19 P33261 2/20 0.47
▸ TNF P01375 1/20 0.47
▸ IL6 P05231 1/20 0.47
▸ SERPINA6 P08185 1/20 0.47
▸ GLUL P15104 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ GPBAR1 Q8TDU6 1/20 0.47

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
SCHEMBL10902938 1.00 NR3C1 (0.67) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL10902932 1.00 NR3C1 (0.67) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL11119966 1.00 NR3C1 (0.67) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL11205582 1.00 NR3C1 (0.67) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL11378093 0.92 NR3C2 (0.59) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL11378088 0.92 NR3C2 (0.59) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL10883641 0.91 PGR (0.70) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL10883647 0.91 PGR (0.70) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL10911116 0.90 NR3C1 (0.62) NR3C1CYP3A4PGRHIF1AHSD17B10
SCHEMBL10911121 0.90 NR3C1 (0.62) NR3C1CYP3A4PGRHIF1AHSD17B10

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-4427671-A ANTIINFLAMMATORY, ANTIALLERGIC, AND ANTIASTHMATIC AGENTS S.I.P.S.Y. (FR) 1984-01-24 — — US disclosed
Send feedback