SCHEMBL10939858

SCHEMBL10939858

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.70
▸ CYP3A4 P08684 4/20 0.70
▸ AR P10275 3/20 0.70
▸ F2 P00734 1/20 0.70
▸ NR3C1 P04150 7/20 0.62
▸ HIF1A Q16665 7/20 0.57
▸ ABCB11 O95342 3/20 0.57
▸ NR1I2 O75469 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ CHRM1 P11229 1/20 0.52
▸ LMNA P02545 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ABCC3 O15438 1/20 0.43
▸ NR3C2 P08235 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
SCHEMBL10939853 1.00 PGR (0.70) PGRCYP3A4ARF2NR3C1
SCHEMBL10903833 0.93 PGR (0.73) PGRCYP3A4ARF2NR3C1
SCHEMBL10903834 0.93 PGR (0.73) PGRCYP3A4ARF2NR3C1
SCHEMBL10941319 0.93 PGR (0.68) PGRCYP3A4ARF2NR3C1
SCHEMBL10941325 0.93 PGR (0.68) PGRCYP3A4ARF2NR3C1
SCHEMBL10881968 0.93 PGR (0.72) PGRCYP3A4ARF2NR3C1
SCHEMBL10881975 0.93 PGR (0.72) PGRCYP3A4ARF2NR3C1
SCHEMBL10934308 0.93 PGR (0.72) PGRCYP3A4ARF2NR3C1
SCHEMBL10883572 0.92 PGR (0.71) PGRCYP3A4ARF2NR3C1
SCHEMBL7162142 0.92 NR3C1 (0.73) PGRCYP3A4ARF2NR3C1

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
EP-0072546-B1 HYDROCORTISONE DERIVATIVES, THEIR PREPARATION AND THEIR UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-09 — — EP claimed
US-4435390-A Hydrocortisone derivatives, the preparation and use thereof SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 — — US claimed
US-4435390-A Hydrocortisone derivatives, the preparation and use thereof SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 — — US disclosed
Send feedback