SCHEMBL10427774

SCHEMBL10427774

CCC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.49
▸ NR3C1 P04150 7/20 0.49
▸ CYP3A4 P08684 7/20 0.49
▸ USP2 O75604 6/20 0.49
▸ HIF1A Q16665 6/20 0.49
▸ AR P10275 5/20 0.49
▸ ADORA3 P0DMS8 4/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ NR1I2 O75469 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ LMNA P02545 4/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ MLNR O43193 1/20 0.43

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
SCHEMBL10798059 1.00 PGR (0.49) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10427840 0.95 PGR (0.54) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10798107 0.95 PGR (0.54) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10623139 0.90 NR3C1 (0.42) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10623130 0.90 NR3C1 (0.42) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10427801 0.90 CYP3A4 (0.53) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10804061 0.90 CYP3A4 (0.53) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10427793 0.89 PGR (0.56) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10427825 0.89 PGR (0.56) PGRNR3C1CYP3A4USP2HIF1A
SCHEMBL10888416 0.89 NR3C1 (0.56) PGRNR3C1CYP3A4USP2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP disclosed
US-4701451-A Novel 6,16-dimethylcorticoids their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-20 — — US disclosed
US-4555507-A Novel 6, 16-dimethylcorticoids, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-26 — — US disclosed
EP-0100874-A2 6,16-Dimethyl corticoids, their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-22 — — EP disclosed
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