SCHEMBL7094044

SCHEMBL7094044

COc1ccc(CC(NC(=O)OC(C)(C)C)c2ccc3c(c2)NC(=S)C(C)O3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CACNA1B Q00975 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GHSR Q92847 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL7711070 0.92 CACNA1B (0.40) SMN1; SMN2ALDH1A1CACNA1BHSD17B10LMNA
SCHEMBL7095640 0.91 ALDH1A1 (0.37) SMN1; SMN2PPARGPPARAALDH1A1HSD17B10
SCHEMBL7087725 0.90 CTSS (0.41) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT
SCHEMBL7711371 0.90 PARP1 (0.41) SMN1; SMN2PPARGPPARAALDH1A1CACNA1B
SCHEMBL7092472 0.90 HSD17B10 (0.37) SMN1; SMN2PPARGPPARAALDH1A1CACNA1B
SCHEMBL7704943 0.90 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT
SCHEMBL7092669 0.89 CTSS (0.34) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT
SCHEMBL7093832 0.88 PTPRB (0.37) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT
SCHEMBL7710783 0.87 PPARG (0.39) SMN1; SMN2PPARGPPARAALDH1A1HSD17B10
SCHEMBL7095139 0.87 CA2 (0.41) SMN1; SMN2ALDH1A1HSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP disclosed
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed