SCHEMBL8409387

SCHEMBL8409387

C[C@]12C[C@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.48
▸ NR3C1 P04150 8/20 0.43
▸ PGR P06401 9/20 0.43
▸ AR P10275 7/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ STS P08842 2/20 0.38
▸ ABCC4 O15439 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ESR1 P03372 1/20 0.38

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
SCHEMBL8407081 0.87 CYP19A1 (0.56) CYP19A1NR3C1PGRARCYP3A4
SCHEMBL8407238 0.80 PGR (0.62) CYP19A1NR3C1PGRARCYP3A4
SCHEMBL23381659 0.79 PGR (0.62) CYP19A1NR3C1PGRARCYP3A4
SCHEMBL8407060 0.77 SRD5A2 (0.38) CYP19A1CYP3A4KDM4EAKR1C3LMNA
SCHEMBL9174030 0.77 MAPT (0.42) CYP19A1CYP3A4KDM4EAKR1C3LMNA
SCHEMBL8948940 0.75 AKR1C3 (0.38) CYP19A1CYP3A4KDM4EAKR1C3LMNA
SCHEMBL12902157 0.75 CYP19A1 (0.64) CYP19A1PGRLMNASMN1; SMN2
SCHEMBL908750 0.75 CYP19A1 (0.64) CYP19A1PGRLMNASMN1; SMN2
SCHEMBL6843517 0.74 CYP19A1 (0.65) CYP19A1PGRLMNASMN1; SMN2
SCHEMBL14946858 0.74 CYP19A1 (0.65) CYP19A1PGRLMNASMN1; SMN2

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-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
Send feedback