SCHEMBL10708089

SCHEMBL10708089

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(O)C(CC(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.62
▸ SERPINA6 P08185 5/20 0.62
▸ LMNA P02545 5/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ TSHR P16473 3/20 0.62
▸ NR3C1 P04150 3/20 0.62
▸ SHBG P04278 3/20 0.62
▸ CYP3A4 P08684 2/20 0.62
▸ PMP22 Q01453 2/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ KCNA1 Q09470 1/20 0.62
▸ SLC47A1 Q96FL8 1/20 0.62
▸ FNTA P49354 6/20 0.61
▸ FNTB P49356 6/20 0.61
▸ BLM P54132 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ AR P10275 1/20 0.58
▸ CYP2C19 P33261 2/20 0.46

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
SCHEMBL27915991 0.88 HSD17B10 (0.67) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL3500094 0.87 HSD17B10 (0.70) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL10708917 0.85 HIF1A (0.63) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL20243021 0.83 HSD17B10 (0.75) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL8622249 0.81 HSD17B10 (0.72) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL1625974 0.80 HSD17B10 (0.79) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL1625973 0.80 HSD17B10 (0.79) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL28131473 0.80 FNTA (0.65) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
Cortisone SCHEMBL8584500 0.79 HSD17B10 (0.74) HSD17B10SERPINA6LMNASMN1; SMN2TSHR
SCHEMBL11615772 0.78 HSD17B10 (0.76) HSD17B10SERPINA6LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127829-B1 IMPROVED STEROID ESTERS PREPARATION AB LEO (SE) 1988-02-24 — — EP disclosed
US-4537722-A CARBODIIMIDES WITH ACID CATALYSTS ARE USED AS CONDENSING AGENTS AB LEO (SE) 1985-08-27 — — US disclosed
EP-0127829-A2 Improved steroid esters preparation AB LEO (SE) 1984-12-12 — — EP disclosed
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