SCHEMBL7993010

SCHEMBL7993010

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.66
▸ LMNA P02545 2/20 0.66
▸ SERPINA6 P08185 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ SLC22A1 O15245 1/20 0.66
▸ SHBG P04278 1/20 0.66
▸ THRB P10828 1/20 0.66
▸ HIF1A Q16665 2/20 0.60
▸ MCL1 Q07820 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CYP19A1 P11511 2/20 0.52
▸ PGR P06401 2/20 0.50
▸ CYP2C19 P33261 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ AR P10275 1/20 0.48
▸ CHRM1 P11229 1/20 0.48

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
SCHEMBL24103254 0.89 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL6445859 0.89 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL9473555 0.89 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL17302789 0.87 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL13177160 0.87 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL3458086 0.87 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL2930366 0.87 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL13804528 0.87 MAPT (0.71) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL24103304 0.86 MAPT (0.69) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL2308408 0.85 MAPT (0.62) MAPTLMNASERPINA6ALDH1A1SLC22A1

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-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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