SCHEMBL24966580

SCHEMBL24966580

CO[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.80
SMN1; SMN2 Q16637 6/20 0.74
LMNA P02545 6/20 0.74
HSD17B10 Q99714 5/20 0.74
SHBG P04278 5/20 0.74
CYP3A4 P08684 3/20 0.74
SERPINA6 P08185 3/20 0.74
HIF1A Q16665 3/20 0.74
CYP2C19 P33261 3/20 0.74
TSHR P16473 3/20 0.74
BLM P54132 2/20 0.74
PMP22 Q01453 1/20 0.74
NR3C1 P04150 5/20 0.64
PGR P06401 4/20 0.64
ALDH1A1 P00352 3/20 0.64
ADRA1A P35348 1/20 0.64
HTR2B P41595 1/20 0.64
MAPT P10636 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62

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
SCHEMBL24966600 1.00 AR (0.80) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL21231430 1.00 AR (0.80) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL22872790 0.92 AR (0.77) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL11813295 0.91 AR (0.82) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL6565022 0.91 AR (0.82) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL21340509 0.91 AR (0.76) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL11410908 0.90 AR (0.75) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL23265222 0.90 AR (0.75) ARSMN1; SMN2LMNAHSD17B10SHBG
SCHEMBL21340634 0.90 AR (0.75) ARSMN1; SMN2LMNAHSD17B10SHBG
Clascoterone SCHEMBL24358737 0.89 AR (1.00) ARSMN1; SMN2LMNAHSD17B10SHBG

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
WO-2023001223-A1 COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL DISEASES SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 WO disclosed