SCHEMBL239362

SCHEMBL239362

O=Cc1ccc(OCC(=O)c2ccccc2)c(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ROCK2 O75116 1/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
ROCK1 Q13464 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1382747 0.81 PTGDR2 (0.73) L3MBTL1TDP1PTGDR2KMT2AMEN1
SCHEMBL9787048 0.75 L3MBTL1 (0.73) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL9787116 0.73 L3MBTL1 (0.65) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL5770727 0.73 L3MBTL1 (0.60) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL5042464 0.73 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL24488994 0.71 PTGDR2 (0.60) L3MBTL1TDP1PTGDR2KMT2AMEN1
SCHEMBL6905536 0.70 TSHR (0.42) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL5770310 0.70 L3MBTL1 (0.53) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL9644385 0.69 TDP1 (0.65) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL10260277 0.69 ROCK2 (0.73) L3MBTL1TDP1KMT2AMEN1ALDH1A1

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-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
EP-0737187-A1 BENZOXAZINE DERIVATIVES, METHODS FOR OBTAINING SAME AND THEIR USE AS DRUGS Laboratoires Pharmascience (FR) 1996-10-16 EP disclosed
WO-1995018114-A1 BENZOXAZINE DERIVATIVES, METHODS FOR OBTAINING SAME AND THEIR USE AS DRUGS LABORATOIRES PHARMASCIENCE (FR) 1995-07-06 WO disclosed