SCHEMBL19257972

SCHEMBL19257972

CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nccs1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.59
PTPRB P23467 13/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 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
SCHEMBL19258120 1.00 CCR3 (0.59) CCR3PTPRBPPARGPPARAGAA
SCHEMBL19258117 1.00 CCR3 (0.59) CCR3PTPRBPPARGPPARAGAA
SCHEMBL19257971 0.86 PTPRB (0.49) CCR3PTPRBHTTLMNAMAPT
SCHEMBL10411484 0.86 PTPRB (0.55) PTPRBHTTLMNAMAPT
SCHEMBL17297218 0.86 PTPRB (0.55) PTPRBHTTLMNAMAPT
SCHEMBL792620 0.81 PTPN1 (0.56) PTPRBHTTLMNAMAPT
SCHEMBL14572899 0.81 PTPN1 (0.56) PTPRBHTTLMNAMAPT
SCHEMBL679411 0.80 PTPRB (0.71) CCR3PTPRB
SCHEMBL679410 0.80 PTPRB (0.71) CCR3PTPRB
SCHEMBL23335327 0.77 PTPRB (0.50) CCR3PTPRBPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed