SCHEMBL10946397

SCHEMBL10946397

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(O)C#CCO

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.73
LMNA P02545 8/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
NR3C1 P04150 5/20 0.73
TSHR P16473 5/20 0.73
PGR P06401 4/20 0.73
AR P10275 4/20 0.73
CYP2C19 P33261 3/20 0.73
HIF1A Q16665 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
THRB P10828 1/20 0.73
ESR1 P03372 1/20 0.73
ALDH1A1 P00352 3/20 0.67
ADRA1A P35348 1/20 0.67
HTR2B P41595 1/20 0.67
HSD17B10 Q99714 7/20 0.64
SERPINA6 P08185 7/20 0.64
BLM P54132 4/20 0.64
PMP22 Q01453 3/20 0.64

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
SCHEMBL10946390 1.00 SHBG (0.73) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8186237 0.92 SHBG (0.70) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8082724 0.92 SHBG (0.70) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8186233 0.92 SHBG (0.70) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL2637912 0.89 SHBG (0.69) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL2639416 0.89 SHBG (0.69) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL30324845 0.88 NR3C1 (0.78) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL2066958 0.88 NR3C1 (0.78) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8076056 0.88 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1TSHR
SCHEMBL8076060 0.88 SHBG (0.68) SHBGLMNASMN1; SMN2NR3C1TSHR

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-4507238-A Process for the preparation of 3-(Δ4 -3-ketosteroid-17α-yl)propionic acid lactones SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-26 US disclosed