SCHEMBL11796127

SCHEMBL11796127

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC(O)[C@]2(O)C(=O)CO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.71
▸ SERPINA6 P08185 6/20 0.71
▸ NR3C1 P04150 4/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ TSHR P16473 3/20 0.71
▸ LMNA P02545 3/20 0.71
▸ SHBG P04278 3/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ PMP22 Q01453 2/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ KCNA1 Q09470 1/20 0.71
▸ SLC47A1 Q96FL8 1/20 0.71
▸ FNTA P49354 4/20 0.58
▸ FNTB P49356 4/20 0.58
▸ BLM P54132 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ AR P10275 1/20 0.58
▸ POLB P06746 1/20 0.54

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
SCHEMBL11845386 0.90 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
SCHEMBL11845368 0.90 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
SCHEMBL11852315 0.90 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
SCHEMBL10079789 0.89 HSD17B10 (0.69) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL13026135 0.83 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL9926754 0.83 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL10089738 0.83 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL13332835 0.83 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL4888 0.83 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL6535496 0.83 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR

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-3956349-A TRIETHYL ORTHOACETATE, ACID CATALYST SYNTEX (U.S.A.) INC. (US) 1976-05-11 — — US disclosed
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