SCHEMBL10892103

SCHEMBL10892103

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.55
▸ CYP3A4 P08684 5/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ NR3C2 P08235 6/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ PGR P06401 5/20 0.51
▸ NR3C1 P04150 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ AR P10275 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CHRM1 P11229 1/20 0.46
▸ CYP2C19 P33261 2/20 0.45
▸ SHBG P04278 1/20 0.45
▸ SERPINA6 P08185 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL10892119 1.00 HIF1A (0.55) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427784 0.94 NR3C2 (0.55) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427783 0.94 NR3C2 (0.55) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427781 0.93 CYP3A4 (0.54) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427912 0.93 CYP3A4 (0.54) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427811 0.92 HIF1A (0.54) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427795 0.92 HIF1A (0.54) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10623142 0.92 CYP3A4 (0.61) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427881 0.92 HIF1A (0.59) HIF1ACYP3A4HSD17B10CYP2C9TSHR
SCHEMBL10427796 0.92 HIF1A (0.59) HIF1ACYP3A4HSD17B10CYP2C9TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4619922-A 6α, 16α-dimethyl corticoids SCHERING AKTIENGESELLSCHAFT (DE) 1986-10-28 — — US disclosed
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