SCHEMBL4649449

SCHEMBL4649449

C[C@]12CC[C@@H]3c4ccc(OC(=O)CCC5CCCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.82
LMNA P02545 7/20 0.82
CYP3A4 P08684 6/20 0.82
KMT2A Q03164 6/20 0.82
MEN1 O00255 5/20 0.82
ESR1 P03372 5/20 0.82
TP53 P04637 4/20 0.82
ADORA3 P0DMS8 4/20 0.82
PGR P06401 3/20 0.82
AR P10275 3/20 0.82
MAPK1 P28482 3/20 0.82
PTGS1 P23219 2/20 0.82
PDE3A Q14432 2/20 0.82
PDE4A P27815 1/20 0.82
CYP2C19 P33261 1/20 0.82
THRB P10828 1/20 0.75
SMN1; SMN2 Q16637 4/20 0.67
HIF1A Q16665 1/20 0.64
ALOX15 P16050 3/20 0.63
CHRM1 P11229 2/20 0.63

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
Estradiol Cypionate SCHEMBL12754433 0.90 LMNA (1.00) MAPTLMNACYP3A4KMT2AMEN1
Estradiol Cypionate SCHEMBL41551 0.90 LMNA (1.00) MAPTLMNACYP3A4KMT2AMEN1
Estradiol Cypionate SCHEMBL20130822 0.90 LMNA (1.00) MAPTLMNACYP3A4KMT2AMEN1
Estradiol Cypionate SCHEMBL28333106 0.90 LMNA (1.00) MAPTLMNACYP3A4KMT2AMEN1
Estradiol Cypionate SCHEMBL19236258 0.90 LMNA (1.00) MAPTLMNACYP3A4KMT2AMEN1
Estradiol Cypionate SCHEMBL29404977 0.90 LMNA (1.00) MAPTLMNACYP3A4KMT2AMEN1
SCHEMBL41552 0.90 LMNA (0.72) MAPTLMNACYP3A4KMT2AMEN1
SCHEMBL9404737 0.89 MAPT (0.83) MAPTLMNACYP3A4KMT2AMEN1
SCHEMBL24102647 0.89 LMNA (0.81) MAPTLMNACYP3A4KMT2AMEN1
SCHEMBL146888 0.88 LMNA (0.82) MAPTLMNACYP3A4KMT2AMEN1

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-0934339-B1 Detoxification by intramuscular administration of F(ab') 2 fragments DOX AL ITALIA SPA (IT) 2008-09-03 EP disclosed