SCHEMBL7215256

SCHEMBL7215256

O=Cc1cccc2cc3c(cc12)C(O)OC3=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.33
ERN1 O75460 2/20 0.32
ATM Q13315 1/20 0.32
NQO1 P15559 1/20 0.31
CYP2A6 P11509 1/20 0.31
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNJ1 P48048 1/20 0.31
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
CCR6 P51684 1/20 0.30

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
SCHEMBL7220449 0.78 POLB (0.35) APEX1ERN1ATM
SCHEMBL23771080 0.76 POLB (0.39) APEX1ATMNQO1MEN1RAB9A
SCHEMBL31084351 0.76 POLB (0.39) APEX1ATMNQO1MEN1RAB9A
SCHEMBL20883393 0.72 MEN1 (0.32) APEX1NQO1MEN1RAB9AKMT2A
SCHEMBL11903615 0.71 ERN1 (0.50) ERN1CYP2A6MEN1RAB9AKMT2A
SCHEMBL3374566 0.70 ERN1 (0.37) ERN1CYP2A6MEN1KMT2AKCNJ1
SCHEMBL1817898 0.70 MEN1 (0.48) ERN1CYP2A6MEN1RAB9AKMT2A
SCHEMBL7036744 0.69 MEN1 (0.46) ERN1CYP2A6MEN1RAB9AKMT2A
SCHEMBL21881721 0.68 APEX1 (0.38) APEX1ATMMEN1RAB9AKMT2A
SCHEMBL39718 0.67 ALDH1A1 (0.50) ERN1CYP2A6MEN1RAB9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1064289-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2001-01-03 EP disclosed
EP-1030853-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2000-08-30 EP disclosed
WO-1999047529-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-09-23 WO disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed