SCHEMBL8551140

SCHEMBL8551140

CCc1ccc(Oc2ccc(C#N)cc2)cc1Oc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.51
HTR2A P28223 3/20 0.50
KCNH2 Q12809 3/20 0.50
SLC6A4 P31645 3/20 0.49
AR P10275 2/20 0.46
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
IL18 Q14116 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1B Q00975 1/20 0.44

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
SCHEMBL15186251 0.84 PGR (0.51) PGRHTR2AKCNH2SLC6A4AR
SCHEMBL15702905 0.84 PGR (0.51) PGRHTR2AKCNH2SLC6A4AR
SCHEMBL922673 0.83 HTR2A (0.52) PGRHTR2AKCNH2SLC6A4PARP15
SCHEMBL18615344 0.83 PGR (0.50) PGRHTR2AKCNH2SLC6A4PARP15
SCHEMBL23865032 0.80 PGR (0.48) PGRHTR2AKCNH2SLC6A4PARP15
SCHEMBL921520 0.80 PGR (0.48) PGRHTR2AKCNH2SLC6A4PARP15
SCHEMBL15604704 0.75 CYP2A6 (0.76) PGRSLC6A4PARP15PARP10PARP2
SCHEMBL8544104 0.75 ALDH1A1 (0.45) HTR2AKCNH2SLC6A4PARP10KDM4E
SCHEMBL860477 0.75 PARP15 (0.49) KCNH2SLC6A4ARPARP15PARP10
SCHEMBL8546657 0.75 MERTK (0.52) HTR2AKCNH2SLC6A4ARPARP15

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed