SCHEMBL8993206

SCHEMBL8993206

COc1cc(CCl)ccc1Cc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
CNR2 P34972 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8993101 0.87 TTR (0.50) TTRCNR2GAAMAPTTSHR
SCHEMBL8992924 0.83 CNR2 (0.45) CNR2GAAMAPTTSHRMAPK1
SCHEMBL8993260 0.83 TTR (0.50) TTRCNR2GAAMAPTTSHR
SCHEMBL8993322 0.80 CNR2 (0.45) CNR2GAAMAPTTSHRMAPK1
SCHEMBL31173715 0.79 TTR (0.50) TTR
SCHEMBL8231041 0.77 TTR (0.50) TTRGAAMAPTTSHRMAPK1
SCHEMBL11838721 0.77 CA2 (0.61) TTRGAAMAPTTSHRMAPK1
SCHEMBL3901814 0.75 TTR (0.47) TTRCA2HTR2A
SCHEMBL5366841 0.74 TTR (0.54) TTRGAAMAPTTSHRMAPK1
SCHEMBL9023705 0.74 ACHE (0.56) GAAMAPTTSHRMAPK1HTT

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