SCHEMBL8993073

SCHEMBL8993073

COC(=O)c1ccc(Cc2ccccc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
HIF1A Q16665 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 1/20 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
SCHEMBL6815544 0.87 LMNA (0.57) MAPTNPC1RAB9ASMPD1HDAC1
SCHEMBL6815303 0.84 LMNA (0.58) NPC1RAB9ACA1CA2LOXL2
SCHEMBL4001117 0.83 LMNA (0.52) MAPTNPC1RAB9ASMPD1HDAC1
SCHEMBL27168760 0.82 LOXL2 (0.51) NPC1RAB9ACA1CA2LOXL2
SCHEMBL8993158 0.82 HSP90AA1 (0.49) NPC1RAB9ACA1CA2LOXL2
SCHEMBL16143289 0.82 HPGD (0.52) MAPTNPC1RAB9ACA1CA2
SCHEMBL6392561 0.81 NPC1 (0.70) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL1458108 0.81 LOXL2 (0.57) MAPTHIF1ANPC1RAB9ALOXL2
SCHEMBL8429886 0.81 MAPT (0.60) MAPTHIF1ACA1CA2HDAC6
SCHEMBL6825689 0.81 CA1 (0.56) MAPTHIF1ANPC1RAB9ACA1

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