SCHEMBL11857100

SCHEMBL11857100

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ SERPINA6 P08185 2/20 0.55
▸ SHBG P04278 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ PGR P06401 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ AR P10275 3/20 0.51
▸ NR3C1 P04150 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ ABCB11 O95342 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL11857201 0.91 LMNA (0.61) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL24103263 0.89 LMNA (0.54) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL25867873 0.89 LMNA (0.54) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL11868208 0.88 CYP19A1 (0.55) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL11859978 0.87 LMNA (0.57) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL25867709 0.87 LMNA (0.53) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL11860421 0.86 MAPT (0.57) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL11856445 0.86 LMNA (0.77) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL8915251 0.86 SERPINA6 (0.71) MAPTLMNASERPINA6SHBGALDH1A1
SCHEMBL11863816 0.86 LMNA (0.79) MAPTLMNASERPINA6SHBGALDH1A1

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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