SCHEMBL30958754

SCHEMBL30958754

C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CCC2=O.[Na]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 7/20 0.69
CYP19A1 P11511 7/20 0.69
HSD17B1 P14061 6/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 2/20 0.69
CYP3A4 P08684 2/20 0.69
ESR1 P03372 2/20 0.69
ESR2 Q92731 2/20 0.69
AKR1B10 O60218 1/20 0.69
SHBG P04278 1/20 0.69
CYP1A2 P05177 1/20 0.69
PGR P06401 1/20 0.69
SERPINA6 P08185 1/20 0.69
AR P10275 1/20 0.69
AKR1B1 P15121 1/20 0.69
NFKB1 P19838 1/20 0.69
SLC6A4 P31645 1/20 0.69
OPRM1 P35372 1/20 0.69
SNCA P37840 1/20 0.69
HTR2B P41595 1/20 0.69

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
SCHEMBL1258196 0.99 STS (0.70) STSCYP19A1HSD17B1LMNAMAPT
SCHEMBL29539187 0.99 STS (0.70) STSCYP19A1HSD17B1LMNAMAPT
SCHEMBL10031984 0.99 STS (0.70) STSCYP19A1HSD17B1LMNAMAPT
SCHEMBL5677682 0.99 STS (0.70) STSCYP19A1HSD17B1LMNAMAPT
SCHEMBL14079692 0.99 STS (0.70) STSCYP19A1HSD17B1LMNAMAPT
Sulfuric Acid SCHEMBL29798778 0.92 STS (0.67) STSCYP19A1HSD17B1LMNAMAPT
Piperazine SCHEMBL2818721 0.92 CYP3A4 (0.64) STSCYP19A1HSD17B1LMNAMAPT
Sulfuric Acid SCHEMBL28338435 0.92 STS (0.67) STSCYP19A1HSD17B1LMNAMAPT
SCHEMBL14513802 0.91 HSD17B1 (0.72) STSCYP19A1HSD17B1LMNAMAPT
SCHEMBL17499964 0.88 STS (0.57) STSCYP19A1HSD17B1LMNAMAPT

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-117903016-A Fluorosulfonyl sulfonimide salt, preparation method and application thereof 中国科学院上海有机化学研究所 2024-04-19 CN disclosed