SCHEMBL8546604

SCHEMBL8546604

COc1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
CACNA1G O43497 1/20 0.50
CACNA1B Q00975 1/20 0.50
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
POLB P06746 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
SNCA P37840 1/20 0.45

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
SCHEMBL921496 0.90 MAOA (0.56) ARCACNA1GCACNA1BPARP15PARP10
SCHEMBL29582194 0.89 PARP15 (0.57) ARCACNA1GCACNA1BPARP15PARP10
SCHEMBL7828090 0.88 MAOA (0.54) ARCACNA1GCACNA1BPARP15PARP10
SCHEMBL922717 0.87 SMN1; SMN2 (0.61) ARCACNA1GCACNA1BCYP19A1MEN1
SCHEMBL16604901 0.84 MAOA (0.51) ARPARP15PARP10PARP2MAOA
SCHEMBL8544256 0.84 ALDH1A1 (0.53) ARCACNA1GCACNA1BPARP15PARP10
1,4-Dimethoxybenzene SCHEMBL28617696 0.83 MAOB (0.61) ARMAOAMAOBPOLBCYP19A1
SCHEMBL103904 0.83 MAOB (0.61) ARMAOAMAOBPOLBCYP19A1
SCHEMBL30757515 0.83 MAOB (0.61) ARMAOAMAOBPOLBCYP19A1
SCHEMBL7041250 0.82 PARP15 (0.63) ARCACNA1GCACNA1BPARP15PARP10

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