SCHEMBL10940343

SCHEMBL10940343

COCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.69
▸ HIF1A Q16665 6/20 0.69
▸ NR3C1 P04150 6/20 0.69
▸ LMNA P02545 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ USP2 O75604 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ AR P10275 4/20 0.63
▸ CHRM1 P11229 2/20 0.63
▸ ABCB11 O95342 2/20 0.58
▸ ABCC3 O15438 1/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ NR3C2 P08235 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ SERPINA6 P08185 2/20 0.56
▸ TNF P01375 1/20 0.56
▸ IL6 P05231 1/20 0.56
▸ GLUL P15104 1/20 0.56
▸ ADAM17 P78536 1/20 0.56

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
SCHEMBL10940339 1.00 PGR (0.69) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL10940461 0.93 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL10940470 0.93 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
Prednisolone Valerate Acetate SCHEMBL375318 0.92 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
Prednisolone Valerate Acetate SCHEMBL375319 0.92 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
Prednisolone Valerate Acetate SCHEMBL14339603 0.92 PGR (0.72) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL5602237 0.91 PGR (0.80) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11042626 0.91 NR3C2 (0.66) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL11042652 0.91 NR3C2 (0.66) PGRHIF1ANR3C1LMNACYP3A4
SCHEMBL5602245 0.91 PGR (0.80) PGRHIF1ANR3C1LMNACYP3A4

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
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