SCHEMBL8992903

SCHEMBL8992903

COc1cccc(Cc2ccc(-c3cnn4c(O)ccnc34)cc2OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.40
DHFR P00374 1/20 0.40
KDR P35968 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 2/20 0.37
TGFBR2 P37173 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8993106 0.90 DHFR (0.40) DHFRKDRFGFR1FGFR4TGFBR2
SCHEMBL8992815 0.87 LTA4H (0.43) FYNDHFRKDRMAPTHCAR2
SCHEMBL8992845 0.86 FYN (0.40) FYNDHFRKDRFGFR1FGFR4
SCHEMBL8993244 0.83 BRS3 (0.47) FYNMAPTALDH1A1HCAR2MEN1
SCHEMBL8993255 0.80 NPC1 (0.50) MAPTALDH1A1LMNAHCAR2MEN1
SCHEMBL8993032 0.77 DHFR (0.40) DHFRKDRFGFR1FGFR4MAPT
SCHEMBL8993183 0.77 FYN (0.40) FYNKDRMAPTALDH1A1LMNA
SCHEMBL8992897 0.76 FYN (0.41) FYNKDRMAPTALDH1A1LMNA
SCHEMBL8993293 0.75 KMT2A (0.40) FYNKDRMAPTALDH1A1LMNA
SCHEMBL13990623 0.75 NPC1 (0.54) KDRMAPTALDH1A1LMNAHCAR2

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