SCHEMBL7793947

SCHEMBL7793947

C#C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCOC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.55
SHBG P04278 5/20 0.53
LMNA P02545 5/20 0.53
NR3C1 P04150 4/20 0.53
CYP2C19 P33261 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PGR P06401 3/20 0.53
TSHR P16473 3/20 0.53
HIF1A Q16665 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ESR1 P03372 2/20 0.53
AR P10275 2/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 2/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
CYP3A4 P08684 3/20 0.45
HSD17B10 Q99714 2/20 0.45
SERPINA6 P08185 2/20 0.45

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
SCHEMBL6707178 0.88 CYP19A1 (0.58) CYP19A1SHBGLMNANR3C1CYP2C19
SCHEMBL7795449 0.79 SHBG (0.48) CYP19A1SHBGLMNANR3C1CYP2C19
SCHEMBL10518162 0.73 LMNA (0.62) SHBGLMNANR3C1CYP2C19SMN1; SMN2
SCHEMBL10518166 0.73 LMNA (0.62) SHBGLMNANR3C1CYP2C19SMN1; SMN2
SCHEMBL3507483 0.73 SHBG (0.67) CYP19A1SHBGLMNANR3C1CYP2C19
SCHEMBL3507486 0.73 SHBG (0.67) CYP19A1SHBGLMNANR3C1CYP2C19
SCHEMBL10959915 0.72 SHBG (0.65) CYP19A1SHBGLMNANR3C1CYP2C19
SCHEMBL10959929 0.72 SHBG (0.65) CYP19A1SHBGLMNANR3C1CYP2C19
SCHEMBL7797159 0.72 PGR (0.71) CYP19A1LMNANR3C1CYP2C19SMN1; SMN2
SCHEMBL10939403 0.72 CYP19A1 (1.00) CYP19A1SHBGLMNASMN1; SMN2TSHR

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-0863760-B1 USE OF ANTIMINERALOCORTICOID COMPOUNDS AGAINST DRUG WITHDRAWAL SYNDROME AVENTIS PHARMA SA (FR) 2001-12-05 EP claimed