SCHEMBL369752

SCHEMBL369752

CC(=O)C1CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CC[C@]12C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.66
PGR P06401 4/20 0.66
AR P10275 4/20 0.66
CHRM1 P11229 3/20 0.66
ALDH1A1 P00352 3/20 0.66
CYP2C19 P33261 2/20 0.66
ADRA1A P35348 2/20 0.66
TBXA2R P21731 1/20 0.66
CYP19A1 P11511 1/20 0.63
CYP2C9 P11712 4/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
SERPINA6 P08185 4/20 0.59
HIF1A Q16665 3/20 0.59
MAPK1 P28482 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.59
ABCB11 O95342 2/20 0.59

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
SCHEMBL18402585 1.00 CYP3A4 (0.66) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL13981881 1.00 CYP3A4 (0.66) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL29882740 1.00 CYP3A4 (0.66) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL12826308 0.88 CYP3A4 (0.65) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL21281538 0.88 CYP3A4 (0.65) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL11426283 0.86 SERPINA6 (0.60) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL1635637 0.86 ALDH1A1 (0.65) CYP3A4PGRARCHRM1ALDH1A1
Medrogestone SCHEMBL13724822 0.85 PGR (0.72) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL666683 0.82 CYP3A4 (0.58) CYP3A4PGRARCHRM1ALDH1A1
SCHEMBL1635633 0.81 CYP19A1 (0.48) CYP3A4PGRARCHRM1ALDH1A1

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