SCHEMBL9623217

SCHEMBL9623217

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.66
LMNA P02545 3/20 0.66
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 2/20 0.66
NR3C1 P04150 2/20 0.66
PGR P06401 2/20 0.66
HIF1A Q16665 2/20 0.66
MEN1 O00255 1/20 0.66
SLC29A1 Q99808 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
CYP19A1 P11511 6/20 0.47
CYP3A4 P08684 2/20 0.47
ABCB11 O95342 1/20 0.46
TNF P01375 1/20 0.46
IL6 P05231 1/20 0.46
SERPINA6 P08185 1/20 0.46

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
SCHEMBL12792409 0.86 HSD17B10 (0.72) HSD17B10LMNAKMT2AALDH1A1NR3C1
SCHEMBL8939666 0.85 LMNA (0.73) HSD17B10LMNAKMT2AALDH1A1NR3C1
SCHEMBL4545226 0.82 HSD17B10 (0.80) HSD17B10LMNAKMT2AALDH1A1NR3C1
SCHEMBL1685744 0.82 HSD17B10 (0.80) HSD17B10LMNAKMT2AALDH1A1NR3C1
SCHEMBL13524533 0.82 HSD17B10 (0.80) HSD17B10LMNAKMT2AALDH1A1NR3C1
SCHEMBL9623866 0.80 NR3C1 (0.67) HSD17B10LMNANR3C1PGRHIF1A
SCHEMBL29039130 0.80 HSD17B10 (0.77) HSD17B10LMNAKMT2AALDH1A1NR3C1
Prednisone SCHEMBL23974933 0.80 HSD17B10 (1.00) HSD17B10LMNAKMT2AALDH1A1NR3C1
Prednisone SCHEMBL20459224 0.80 HSD17B10 (1.00) HSD17B10LMNAKMT2AALDH1A1NR3C1
Prednisone SCHEMBL21883168 0.80 HSD17B10 (1.00) HSD17B10LMNAKMT2AALDH1A1NR3C1

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
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP claimed