SCHEMBL10427797

SCHEMBL10427797

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)C34O[C@H]4C[C@@]21C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.46
▸ CYP3A4 P08684 8/20 0.46
▸ USP2 O75604 7/20 0.46
▸ NR3C1 P04150 7/20 0.46
▸ HIF1A Q16665 5/20 0.46
▸ AR P10275 5/20 0.46
▸ CHRM1 P11229 4/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LMNA P02545 5/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10427823 1.00 PGR (0.46) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427812 0.95 PGR (0.50) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427813 0.95 PGR (0.50) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427814 0.95 PGR (0.50) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427837 0.90 PGR (0.40) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427836 0.90 PGR (0.40) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427822 0.90 CYP3A4 (0.49) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427805 0.90 CYP3A4 (0.49) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427804 0.90 CYP3A4 (0.49) PGRCYP3A4USP2NR3C1HIF1A
SCHEMBL10427774 0.86 PGR (0.49) PGRCYP3A4USP2NR3C1HIF1A

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 5 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-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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