SCHEMBL528448

SCHEMBL528448

O=Cc1cccc(OCC(=O)N2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
FKBP1A P62942 11/20 0.69
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL15156267 0.86 MEN1 (0.60) ALDH1A1FKBP1APOLBKDM4EUSP2
SCHEMBL528962 0.85 GAA (0.70) ALDH1A1FKBP1APOLBKDM4ERECQL
SCHEMBL15156731 0.85 TPSAB1 (0.58) ALDH1A1FKBP1AKDM4EUSP2HPGD
SCHEMBL5692472 0.84 ALDH1A1 (1.00) ALDH1A1FKBP1ASMN1; SMN2MAPTPOLB
SCHEMBL3630046 0.83 ALDH1A1 (0.60) ALDH1A1FKBP1ASMN1; SMN2MAPTPOLB
SCHEMBL3096037 0.83 FKBP1A (0.74) ALDH1A1FKBP1ASMN1; SMN2MAPTPOLB
SCHEMBL13606473 0.82 FKBP1A (0.72) ALDH1A1FKBP1ASMN1; SMN2MAPTPOLB
SCHEMBL12409096 0.82 KDM4E (0.78) ALDH1A1FKBP1ASMN1; SMN2MAPTPOLB
SCHEMBL2229109 0.82 FKBP1A (0.72) ALDH1A1FKBP1ASMN1; SMN2MAPTPOLB
SCHEMBL8320871 0.81 ALDH1A1 (0.79) ALDH1A1FKBP1ASMN1; SMN2POLBKDM4E

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-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-1996028448-A1 6-ARYL PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES AND COMPOSITIONS AND METHODS OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-09-19 WO disclosed