SCHEMBL30697444

SCHEMBL30697444

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C=COS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 0.45
GRIN2B Q13224 12/20 0.45
GRIN2D O15399 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2C Q14957 2/20 0.45
CYP19A1 P11511 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
EFNA1 P20827 1/20 0.44
EPHA2 P29317 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27509954 0.83 MEN1 (0.47) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL29426384 0.81 EPHA2 (0.46) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL30815952 0.81 EPHA2 (0.46) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL6271938 0.80 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL27766908 0.80 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL27803736 0.80 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL13988200 0.80 CYP19A1 (0.55) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL11639079 0.79 MEN1 (0.53) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL11639081 0.79 MEN1 (0.53) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL11639078 0.79 MEN1 (0.53) CYP19A1AKR1B10AKR1B1EFNA1EPHA2

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
CN-117202910-A Formulations for prolonging pregnancy and for menstruation or pregnancy complications 斯坦福大学托管董事会 2023-12-08 CN claimed