SCHEMBL9540733

SCHEMBL9540733

C=C(CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.78
CYP3A4 P08684 7/20 0.78
ALDH1A1 P00352 6/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
MAPT P10636 5/20 0.78
MAPK1 P28482 4/20 0.78
SHBG P04278 4/20 0.78
SERPINA6 P08185 4/20 0.78
HSD17B10 Q99714 4/20 0.78
ABCB11 O95342 2/20 0.78
TSHR P16473 4/20 0.72
NR3C1 P04150 4/20 0.72
PGR P06401 4/20 0.72
AR P10275 3/20 0.72
GPBAR1 Q8TDU6 3/20 0.72
SIGMAR1 Q99720 3/20 0.72
CYP2C9 P11712 2/20 0.72
HIF1A Q16665 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72

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
SCHEMBL18891474 1.00 LMNA (0.78) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL18891475 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL25773308 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL4066 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL13752803 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL4065 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL28269906 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL15763287 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
Desoxycorticosterone SCHEMBL21243062 0.88 LMNA (1.00) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT
SCHEMBL13845093 0.88 CYP3A4 (0.81) LMNACYP3A4ALDH1A1SMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993007878-A1 ALDOSTERONE BIOSYNTHESIS INHIBITOR BAKER NORTON PHARMACEUTICALS, INC. (US) 1993-04-29 WO claimed
US-5120724-A Treatment of hyperaldosteronism, hypertension, hypokalemia, or edema BAKER CUMMINS PHARMACEUTICALS, INC. (US) 1992-06-09 US claimed
WO-1993007878-A1 ALDOSTERONE BIOSYNTHESIS INHIBITOR BAKER NORTON PHARMACEUTICALS, INC. (US) 1993-04-29 WO disclosed
US-5120724-A Treatment of hyperaldosteronism, hypertension, hypokalemia, or edema BAKER CUMMINS PHARMACEUTICALS, INC. (US) 1992-06-09 US disclosed