SCHEMBL7989775

SCHEMBL7989775

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.68
PGR P06401 2/20 0.68
SERPINA6 P08185 2/20 0.68
LMNA P02545 2/20 0.68
AR P10275 1/20 0.68
CHRM1 P11229 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.66
NR3C1 P04150 8/20 0.66
CYP2C19 P33261 2/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP3A4 P08684 2/20 0.66
NFKB1 P19838 2/20 0.66
MAPT P10636 2/20 0.66
NR3C2 P08235 2/20 0.66
SHBG P04278 1/20 0.66
KMT2A Q03164 1/20 0.66
PMP22 Q01453 1/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 1/20 0.61
GAA P10253 1/20 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
SCHEMBL11037834 0.89 HIF1A (0.68) HIF1APGRSERPINA6LMNAAR
SCHEMBL11040189 0.89 HIF1A (0.68) HIF1APGRSERPINA6LMNAAR
SCHEMBL11040910 0.89 HIF1A (0.68) HIF1APGRSERPINA6LMNAAR
SCHEMBL11040396 0.89 HIF1A (0.68) HIF1APGRSERPINA6LMNAAR
SCHEMBL147512 0.86 PGR (0.69) HIF1APGRSERPINA6LMNAAR
SCHEMBL14867487 0.85 HIF1A (0.84) HIF1APGRSERPINA6LMNAAR
SCHEMBL4611863 0.84 HIF1A (0.75) HIF1APGRSERPINA6LMNAAR
SCHEMBL13368121 0.84 HIF1A (0.84) HIF1APGRSERPINA6LMNAAR
SCHEMBL4618329 0.84 HIF1A (0.84) HIF1APGRSERPINA6LMNAAR
SCHEMBL21186498 0.83 HIF1A (0.80) HIF1APGRSERPINA6LMNAAR

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 3 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
WO-1993020448-A1 NON-INSTRUMENTED ENZYME IMMUNOASSAY: GENERAL METHOD UTILIZING KINETIC BINDING EFFECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-10-14 WO disclosed