SCHEMBL9727554

SCHEMBL9727554

CC(=O)OC(C)(C)[C@@]1(C)CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@@H]32)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 2/20 0.53
▸ PGR P06401 4/20 0.51
▸ ABCB11 O95342 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ NR3C1 P04150 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ AR P10275 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CYP19A1 P11511 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SHBG P04278 2/20 0.50

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
SCHEMBL9727559 1.00 SERPINA6 (0.53) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL9138437 0.79 SERPINA6 (0.59) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL9136995 0.77 SERPINA6 (0.52) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL9136998 0.77 SERPINA6 (0.52) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL9138309 0.73 CYP19A1 (0.55) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL9138336 0.73 CYP19A1 (0.55) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL9139911 0.72 CYP19A1 (0.57) SERPINA6PGRABCB11CYP3A4NR3C1
SCHEMBL9139913 0.72 CYP19A1 (0.57) SERPINA6PGRABCB11CYP3A4NR3C1
SCHEMBL3643478 0.72 CYP19A1 (0.55) SERPINA6PGRABCB11CYP3A4MAPT
SCHEMBL13804528 0.71 MAPT (0.71) SERPINA6PGRABCB11CYP3A4MAPT

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-5116865-A Antifertility Agents SRI INTERNATIONAL, A CORP OF CA 1992-05-26 — — US claimed
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