SCHEMBL29757161

SCHEMBL29757161

CC=C1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
CYP19A1 P11511 4/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
OR51E2 Q9H255 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
AR P10275 3/20 0.39
CYP3A4 P08684 3/20 0.39
NR1I2 O75469 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NR3C1 P04150 2/20 0.39
PGR P06401 2/20 0.39
NR3C2 P08235 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL2186022 0.85 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
SCHEMBL12857149 0.85 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
SCHEMBL1287860 0.85 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
SCHEMBL9512557 0.85 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
SCHEMBL1287861 0.85 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
Water SCHEMBL27940020 0.84 CYP19A1 (0.54) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
Hydrogen Peroxide SCHEMBL27824496 0.83 CYP19A1 (0.53) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
Sulfuric Acid SCHEMBL5532907 0.82 CYP19A1 (0.50) CYP19A1AKR1B10AKR1B1OR51E2SMN1; SMN2
Acetic Acid SCHEMBL31729653 0.80 CYP19A1 (0.50) CYP19A1AKR1B10AKR1B1OR51E2CYP3A4
SCHEMBL10444765 0.76 MBOAT4 (0.38) CYP19A1AKR1B10AKR1B1OR51E2AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114717173-B Genetically engineered strain for producing sterol side chain incomplete degradation product, construction method and application thereof 华东理工大学 2023-10-10 CN disclosed
CN-114717173-A Genetic engineering strain for producing sterol side chain incomplete degradation product and construction method and application thereof 华东理工大学 2022-07-08 CN disclosed