SCHEMBL7989813

SCHEMBL7989813

CC(=O)C1(C(C)=O)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA6 P08185 6/20 0.69
SHBG P04278 7/20 0.67
LMNA P02545 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
BLM P54132 4/20 0.67
CYP2C19 P33261 4/20 0.67
NR3C1 P04150 3/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP17A1 P05093 2/20 0.67
MAPK3 P27361 1/20 0.67
SLC6A3 Q01959 1/20 0.67
ALDH1A1 P00352 5/20 0.63
PGR P06401 2/20 0.63
ADRA1A P35348 2/20 0.63
HTR2B P41595 2/20 0.63
TSHR P16473 5/20 0.58
CYP3A4 P08684 4/20 0.58

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
SCHEMBL7989808 1.00 SERPINA6 (0.69) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL10868078 0.88 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL9221947 0.88 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL8755727 0.88 SERPINA6 (0.80) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL9347240 0.85 SHBG (0.70) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL11207658 0.82 SHBG (0.71) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL14150039 0.81 SHBG (0.77) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL18891189 0.81 SHBG (0.77) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL18891198 0.81 SHBG (0.77) SERPINA6SHBGLMNASMN1; SMN2BLM
SCHEMBL8093443 0.81 SHBG (0.77) SERPINA6SHBGLMNASMN1; SMN2BLM

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