SCHEMBL10427815

SCHEMBL10427815

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.67
▸ NR3C1 P04150 7/20 0.67
▸ CYP3A4 P08684 6/20 0.67
▸ HIF1A Q16665 6/20 0.67
▸ USP2 O75604 5/20 0.67
▸ CNR1 P21554 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ AR P10275 3/20 0.59
▸ F2 P00734 1/20 0.59
▸ ABCB11 O95342 2/20 0.56
▸ NR1I2 O75469 3/20 0.55
▸ ADORA3 P0DMS8 2/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CHRM1 P11229 1/20 0.55

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
SCHEMBL10427816 1.00 PGR (0.67) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL10427859 0.95 PGR (0.66) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL10356202 0.95 PGR (0.66) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL10356203 0.95 PGR (0.66) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL11124736 0.92 ABCB11 (0.67) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL11127564 0.92 ABCB11 (0.67) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL10427850 0.91 PGR (0.58) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL10427908 0.91 PGR (0.58) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL9807831 0.90 PGR (0.55) PGRNR3C1CYP3A4HIF1AUSP2
SCHEMBL9807835 0.90 PGR (0.55) PGRNR3C1CYP3A4HIF1AUSP2

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