SCHEMBL4264019

SCHEMBL4264019

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.71
▸ LMNA P02545 8/20 0.71
▸ TSHR P16473 5/20 0.71
▸ MAPT P10636 5/20 0.71
▸ NR3C1 P04150 4/20 0.71
▸ PGR P06401 4/20 0.71
▸ AR P10275 4/20 0.71
▸ NR1I2 O75469 3/20 0.71
▸ CYP2C9 P11712 3/20 0.71
▸ CYP2C19 P33261 2/20 0.71
▸ CYP17A1 P05093 2/20 0.71
▸ OPRK1 P41145 1/20 0.71
▸ CYP19A1 P11511 3/20 0.69
▸ HSD17B10 Q99714 4/20 0.61
▸ SHBG P04278 4/20 0.61
▸ SERPINA6 P08185 4/20 0.61
▸ MAPK1 P28482 4/20 0.61
▸ GPBAR1 Q8TDU6 3/20 0.61
▸ SIGMAR1 Q99720 3/20 0.61
▸ SNCA P37840 2/20 0.61

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
SCHEMBL4264017 1.00 CYP3A4 (0.71) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6897111 0.91 CYP3A4 (0.69) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6897116 0.91 CYP3A4 (0.69) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6894352 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6894357 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6902306 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6901280 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6901756 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6901750 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1
SCHEMBL6902307 0.90 CYP3A4 (0.68) CYP3A4LMNATSHRMAPTNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115128178-B Full-automatic detection method for various steroid esters in dried blood spot sample 上海体育大学 2023-08-25 — — CN claimed
US-20090104122-A1 DETECTION OF MEMBRANE ANDROGEN RECEPTOR (mAR) AGENTS MEDEXIS S.A. (GR) 2009-04-23 — — US disclosed
EP-2008099-A2 DETECTION OF MEMBRANE ANDROGEN RECEPTOR (MAR) AGENTS Medexis S.A. (GR) 2008-12-31 — — EP disclosed
WO-2007123682-A2 DETECTION OF MEMBRANE ANDROGEN RECEPTOR (MAR) AGENTS MEDEXIS S.A. (GR) 2007-11-01 — — WO disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 — — US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 — — WO disclosed
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