SCHEMBL11296376

SCHEMBL11296376

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.63
▸ PGR P06401 9/20 0.63
▸ HIF1A Q16665 6/20 0.63
▸ LMNA P02545 4/20 0.63
▸ CNR1 P21554 3/20 0.63
▸ NR1I2 O75469 3/20 0.63
▸ USP2 O75604 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ABCB11 O95342 2/20 0.53
▸ TNF P01375 1/20 0.53
▸ IL6 P05231 1/20 0.53
▸ SERPINA6 P08185 1/20 0.53

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
SCHEMBL11561586 0.94 NR3C1 (0.60) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11288654 0.92 NR3C1 (0.71) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11566212 0.91 NR3C1 (0.59) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11990602 0.91 NR3C1 (0.65) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11584989 0.89 PGR (0.68) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11586807 0.87 PGR (0.64) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11586806 0.87 PGR (0.64) NR3C1PGRHIF1ALMNACNR1
SCHEMBL23892577 0.87 NR3C1 (0.73) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11054207 0.87 NR3C1 (0.73) NR3C1PGRHIF1ALMNACNR1
SCHEMBL11045199 0.87 NR3C1 (0.73) NR3C1PGRHIF1ALMNACNR1

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
EP-0000742-B1 CORTICOIDS-17-ALKYLCARBONATES, PROCESS FOR THEIR PREPARATION AND PREPARATIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-12 — — EP disclosed
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