SCHEMBL5155074

SCHEMBL5155074

CC1(C)CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(=O)CCC5CCCC5)CC[C@@H]34)[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.55
▸ MAPT P10636 7/20 0.55
▸ CYP3A4 P08684 5/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ PGR P06401 3/20 0.54
▸ AR P10275 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ ESR1 P03372 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ PDE3A Q14432 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NR1I2 O75469 2/20 0.45
▸ NR3C1 P04150 1/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL5189196 0.86 LMNA (0.75) LMNAMAPTCYP3A4KMT2APGR
SCHEMBL6012029 0.86 LMNA (0.75) LMNAMAPTCYP3A4KMT2APGR
SCHEMBL17419486 0.85 LMNA (0.74) LMNAMAPTCYP3A4KMT2APGR
SCHEMBL604525 0.85 LMNA (0.73) LMNAMAPTCYP3A4KMT2APGR
SCHEMBL5155136 0.82 MAPT (0.62) LMNAMAPTCYP3A4KMT2APGR
SCHEMBL5153517 0.81 MAPT (0.52) LMNAMAPTCYP3A4KMT2APGR
Testosterone Cypionate SCHEMBL6151889 0.76 CYP3A4 (0.76) LMNAMAPTCYP3A4KMT2APGR
Testosterone Cypionate SCHEMBL40862 0.76 CYP3A4 (0.76) LMNAMAPTCYP3A4KMT2APGR
Testosterone Cypionate SCHEMBL12754434 0.76 CYP3A4 (0.76) LMNAMAPTCYP3A4KMT2APGR
Testosterone Cypionate SCHEMBL16210495 0.76 CYP3A4 (0.76) LMNAMAPTCYP3A4KMT2APGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262023-B2 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-Halogen steroids and uses thereof BAYER SCHERING PHARMA AG (DE) 2007-08-28 — — US disclosed
US-20050090477-A1 Microbiological process for the production of 7-substituted 11-hydroxy steroids, 7,17-substituted 11-halogen steroids that can be produced therefrom, their process for production and use as well as pharmaceutical prepartions that contain these compounds, as well as 7-substituted estra-1,3,5(10)-trienses that can be produced therefrom SCHERING AG (DE) 2005-04-28 — — US disclosed
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