SCHEMBL11852315

SCHEMBL11852315

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.71
▸ SERPINA6 P08185 4/20 0.71
▸ NR3C1 P04150 4/20 0.71
▸ TSHR P16473 3/20 0.71
▸ LMNA P02545 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ SHBG P04278 2/20 0.71
▸ CYP3A4 P08684 2/20 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 5/20 0.58
▸ FNTB P49356 5/20 0.58
▸ BLM P54132 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 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 1.00 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL11845368 1.00 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL9267304 0.92 HSD17B10 (0.63) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL9267319 0.92 HSD17B10 (0.63) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL11796127 0.90 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL10381224 0.89 SERPINA6 (0.61) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL9191538 0.89 SERPINA6 (0.61) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL10079789 0.89 HSD17B10 (0.69) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL9193185 0.88 FNTA (0.73) HSD17B10SERPINA6NR3C1TSHRLMNA
SCHEMBL9193196 0.88 FNTA (0.73) HSD17B10SERPINA6NR3C1TSHRLMNA

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-3984544-A Retinoic acid esters of steroids of the pregnane series, their use in the treatment of acne and pharmaceutical formulations useful therefor SCHERING CORPORATION (US) 1976-10-05 — — US disclosed
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