SCHEMBL10857885

SCHEMBL10857885

CCOC(=O)CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.82
▸ PGR P06401 5/20 0.82
▸ CYP3A4 P08684 4/20 0.82
▸ USP2 O75604 3/20 0.82
▸ LMNA P02545 3/20 0.82
▸ MAPT P10636 3/20 0.82
▸ NR1I2 O75469 2/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ NPSR1 Q6W5P4 2/20 0.82
▸ MLNR O43193 1/20 0.82
▸ ABCB11 O95342 1/20 0.82
▸ CYP3A5 P20815 1/20 0.82
▸ PPARG P37231 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ CYP2C9 P11712 1/20 0.82
▸ MEN1 O00255 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ ADORA3 P0DMS8 2/20 0.71
▸ DRD2 P14416 1/20 0.71
▸ OPRD1 P41143 1/20 0.71

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
SCHEMBL10857890 1.00 NR3C1 (0.82) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL10601845 0.97 NR3C1 (0.84) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL10602121 0.97 NR3C1 (0.84) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL10601843 0.97 NR3C1 (0.84) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL11580241 0.94 NR3C1 (0.87) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL81051 0.94 NR3C1 (0.87) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL11580237 0.94 NR3C1 (0.87) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL10861701 0.93 NR3C1 (0.89) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL10861708 0.93 NR3C1 (0.89) NR3C1PGRCYP3A4USP2LMNA
SCHEMBL10859891 0.93 NR3C1 (0.82) NR3C1PGRCYP3A4USP2LMNA

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
US-4602009-A Corticoid derivatives and process for production thereof MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-22 — — US claimed
US-4602009-A Corticoid derivatives and process for production thereof MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-22 — — US disclosed
EP-0136586-A2 Novel corticoid derivatives and process for production thereof MITSUBISHI KASEI CORPORATION (JP) 1985-04-10 — — EP disclosed
Send feedback