SCHEMBL8519554

SCHEMBL8519554

COc1ccc(C(=O)c2c(C)cc(CNS(=O)(=O)C=Cc3ccccc3)n2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.41
ABCB11 O95342 1/20 0.41
PTGS2 P35354 1/20 0.41
PPARG P37231 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
NFE2L2 Q16236 1/20 0.41
HSPD1 P10809 1/20 0.41
TNFRSF1A P19438 1/20 0.41
MAOB P27338 1/20 0.41
HSPE1 P61604 1/20 0.41
CYP1B1 Q16678 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL8518458 0.89 PTGS2 (0.55) LMNAALDH1A1KDM4EABCB11PTGS2
SCHEMBL8519156 0.82 OPRK1 (0.46) LMNAALDH1A1ABCB11PTGS2MEN1
SCHEMBL8519556 0.76 ABCB11 (0.47) LMNAALDH1A1ABCB11PTGS2PPARG
SCHEMBL8519457 0.74 GAA (0.48) ALDH1A1GAAMMP1MMP9MMP13
SCHEMBL8519558 0.73 ABCB11 (0.43) LMNAALDH1A1ABCB11PTGS2MEN1
SCHEMBL8518786 0.73 ABCB11 (0.43) LMNAALDH1A1ABCB11PTGS2MEN1
SCHEMBL8519811 0.73 ABCB11 (0.48) LMNAALDH1A1ABCB11PTGS2MEN1
SCHEMBL7473702 0.73 PTGS2 (0.56) LMNAALDH1A1KDM4EABCB11PTGS2
SCHEMBL8518402 0.72 ABCB11 (0.47) LMNAALDH1A1KDM4EABCB11PTGS2
SCHEMBL8519157 0.72 ABCB11 (0.43) LMNAALDH1A1ABCB11PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981521-A USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION ABBOTT LABORATORIES (US) 1999-11-09 US disclosed