SCHEMBL367638

SCHEMBL367638

C=C1CC2C(CC[C@@]3(C)C2CC[C@@H]3C(C)=O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.67
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
SERPINA6 P08185 5/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 3/20 0.67
MAPK1 P28482 3/20 0.67
CYP2C9 P11712 2/20 0.67
TSHR P16473 2/20 0.67
HIF1A Q16665 2/20 0.67
CYP2C19 P33261 2/20 0.67
PGR P06401 2/20 0.67
AR P10275 2/20 0.67
CHRM1 P11229 2/20 0.67
ADRA1A P35348 2/20 0.67
ABCB11 O95342 2/20 0.67
SHBG P04278 2/20 0.67
NR3C2 P08235 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67

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
SCHEMBL1444719 1.00 CYP3A4 (0.67) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA
SCHEMBL13981790 1.00 CYP3A4 (0.67) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA
SCHEMBL37618 0.89 CYP3A4 (0.70) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA
SCHEMBL29362131 0.88 SMN1; SMN2 (0.69) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA
SCHEMBL28292237 0.88 CYP3A4 (0.53) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA
SCHEMBL11204626 0.86 ALDH1A1 (0.72) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA
SCHEMBL1782726 0.85 CYP19A1 (0.65) CYP3A4SERPINA6LMNAMAPTMAPK1
SCHEMBL12604834 0.85 CYP19A1 (0.65) CYP3A4SERPINA6LMNAMAPTMAPK1
SCHEMBL1782727 0.85 CYP19A1 (0.65) CYP3A4SERPINA6LMNAMAPTMAPK1
SCHEMBL11403213 0.85 LMNA (0.51) CYP3A4ALDH1A1SMN1; SMN2SERPINA6LMNA

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-1841778-B1 METHOD FOR PREPARING MEDROGESTONE ABBOTT PRODUCTS GMBH (DE) 2012-03-14 EP disclosed