SCHEMBL11288311

SCHEMBL11288311

COC(=O)OCC(=O)[C@@]1(OC(=O)OC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.77
▸ PGR P06401 7/20 0.77
▸ HIF1A Q16665 5/20 0.77
▸ LMNA P02545 3/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ USP2 O75604 1/20 0.77
▸ CYP2D6 P10635 1/20 0.77
▸ CYP2C9 P11712 1/20 0.77
▸ ABCB11 O95342 2/20 0.67
▸ NR1I2 O75469 2/20 0.67
▸ ABCC3 O15438 1/20 0.67
▸ HSD17B10 Q99714 2/20 0.61
▸ AR P10275 2/20 0.61
▸ NR3C2 P08235 2/20 0.61
▸ TNF P01375 1/20 0.61
▸ IL6 P05231 1/20 0.61
▸ SERPINA6 P08185 1/20 0.61
▸ GLUL P15104 1/20 0.61
▸ ADAM17 P78536 1/20 0.61
▸ GPBAR1 Q8TDU6 1/20 0.61

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
SCHEMBL11432971 0.95 NR3C1 (0.85) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11425650 0.95 NR3C1 (0.83) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11429938 0.95 PGR (0.75) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11431344 0.94 NR3C1 (0.72) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11287280 0.94 NR3C1 (0.76) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11430779 0.94 NR3C1 (0.73) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11439795 0.94 NR3C1 (0.73) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11429655 0.94 NR3C1 (0.71) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11431806 0.94 NR3C1 (0.88) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11438678 0.94 NR3C1 (0.78) NR3C1PGRHIF1ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000742-B1 CORTICOIDS-17-ALKYLCARBONATES, PROCESS FOR THEIR PREPARATION AND PREPARATIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-12 — — EP disclosed
US-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
EP-0000742-A1 Corticoids-17-alkylcarbonates, process for their preparation and preparations containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 — — EP disclosed
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