SCHEMBL10427870

SCHEMBL10427870

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.55
▸ HIF1A Q16665 8/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PGR P06401 7/20 0.51
▸ LMNA P02545 5/20 0.51
▸ NR3C1 P04150 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ AR P10275 6/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ SERPINA6 P08185 1/20 0.49
▸ F2 P00734 1/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ ABCB11 O95342 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ABCC4 O15439 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ SHBG P04278 1/20 0.42

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
SCHEMBL10427869 1.00 CYP3A4 (0.55) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10427817 0.90 HIF1A (0.56) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10427768 0.90 HIF1A (0.56) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10625979 0.90 CYP3A4 (0.62) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10625985 0.90 CYP3A4 (0.62) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10356238 0.88 PGR (0.56) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10427757 0.88 PGR (0.56) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10356236 0.88 PGR (0.56) CYP3A4HIF1ACYP2C9ALDH1A1TSHR
SCHEMBL10427898 0.84 PGR (0.66) CYP3A4HIF1ACYP2C9ALDH1A1HSD17B10
SCHEMBL10427880 0.84 PGR (0.66) CYP3A4HIF1ACYP2C9ALDH1A1HSD17B10

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
US-4701451-A Novel 6,16-dimethylcorticoids their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-20 — — US claimed
EP-0100874-A2 6,16-Dimethyl corticoids, their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-22 — — EP claimed
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
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