SCHEMBL4692253

SCHEMBL4692253

CCn1nc(C)cc1OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAPT P10636 4/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.41
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL27815550 0.86 MAPT (0.43) LMNAMAPTALOX15KMT2AKDM4E
SCHEMBL28236023 0.85 MAPT (0.42) LMNAMAPTALOX15KMT2AKDM4E
SCHEMBL22090221 0.85 MAPT (0.42) LMNAMAPTALOX15KMT2AKDM4E
SCHEMBL7097815 0.83 MAPT (0.41) LMNAMAPTALOX15KMT2AKDM4E
SCHEMBL3416368 0.77 SMN1; SMN2 (0.43) LMNAMAPTALOX15KMT2AKDM4E
SCHEMBL15768011 0.76 HTT (0.45) LMNAKMT2APOLBGAAALDH1A1
SCHEMBL28234394 0.74 ALDH1A1 (0.39) LMNAMAPTALOX15KMT2AKDM4E
SCHEMBL710008 0.73 MAPT (0.56) LMNAMAPTKDM4EAPAF1POLB
Hydrochloric Acid SCHEMBL8048126 0.71 MAPT (0.55) LMNAMAPTKDM4EAPAF1POLB
SCHEMBL18529861 0.71 MAPT (0.42) LMNAMAPTALOX15KMT2AKDM4E

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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-0854142-B1 Process for the preparation of 1-alkylpyrazole-5-carboxylic esters BAYER AG (DE) 2002-09-18 EP disclosed
EP-0854142-A1 Process for the preparation of 1-alkylpyrazole-5-carboxylic esters BAYER AG (DE) 1998-07-22 EP disclosed