SCHEMBL8992999

SCHEMBL8992999

CCOC(=O)c1ccc(Cc2ccc(OC)cc2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.58
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CCR6 P51684 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
MAOB P27338 1/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL8993326 0.91 HSD17B2 (0.59) HSD17B2KMT2AMEN1LMNAMAPT
SCHEMBL11458535 0.83 KMT2A (0.63) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL8993227 0.82 HSD17B2 (0.58) HSD17B2KMT2AMEN1LMNAMAPT
SCHEMBL8992779 0.81 HSD17B2 (0.61) HSD17B2KMT2AMEN1LMNAMAPT
SCHEMBL9356016 0.81 SMN1; SMN2 (0.60) HSD17B2KMT2ALMNAMAPTHTT
SCHEMBL14582858 0.80 HSD17B2 (0.68) HSD17B2KMT2AMEN1LMNAMAPT
SCHEMBL5161173 0.79 HSD17B2 (0.66) HSD17B2KMT2AMEN1LMNAMAPT
SCHEMBL12968393 0.79 MAOB (0.58) HSD17B2KMT2AMEN1L3MBTL1MAPT
SCHEMBL27845077 0.78 CYP4F2 (0.57) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL14366059 0.78 ALDH1A1 (0.54) KMT2AMEN1LMNAHTTALDH1A1

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-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed