SCHEMBL11868660

SCHEMBL11868660

CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ SERPINA6 P08185 2/20 0.47
▸ SHBG P04278 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PGR P06401 4/20 0.46
▸ AR P10275 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ CYP1A2 P05177 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
SCHEMBL11854733 0.90 LMNA (0.59) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11857201 0.89 LMNA (0.61) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11857100 0.86 MAPT (0.57) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11859978 0.85 LMNA (0.57) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11856445 0.84 LMNA (0.77) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11863964 0.84 LMNA (0.79) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11864686 0.84 LMNA (0.79) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11863816 0.84 LMNA (0.79) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL11852223 0.84 LMNA (0.79) LMNAMAPTSERPINA6SHBGALDH1A1
SCHEMBL1842101 0.84 LMNA (0.79) LMNAMAPTSERPINA6SHBGALDH1A1

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-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 — — US disclosed
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