SCHEMBL937700

SCHEMBL937700

CC(C)NCC(O)c1ccc(-c2cc(-c3cccc(C(=O)O)c3)no2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 7/20 0.54
ADRB1 P08588 5/20 0.47
ADRB3 P13945 5/20 0.47
ADRB2 P07550 2/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
PRKD3 O94806 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 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
SCHEMBL6922430 0.90 PRKD1 (0.52) PRKD1ADRB1ADRB3ADRB2PPARG
SCHEMBL936381 0.85 PRKD1 (0.77) PRKD1PPARGPPARAPRKD3PRKD2
SCHEMBL936379 0.85 PRKD1 (0.77) PRKD1PPARGPPARAPRKD3PRKD2
SCHEMBL12171379 0.84 MAPT (0.53) PRKD1PPARGPPARANPC1CASP3
SCHEMBL12171540 0.81 ABCB1 (0.51) PRKD1PPARGPPARANPC1CASP3
SCHEMBL5206252 0.79 NPC1 (0.66) PPARGPPARANPC1CASP3RAB9A
SCHEMBL966138 0.78 PRKD1 (0.62) PRKD1PPARGPPARAPRKD3PRKD2
SCHEMBL4876695 0.78 NPC1 (0.68) PPARGPPARANPC1CASP3RAB9A
SCHEMBL960012 0.77 NPC1 (0.52) PRKD1PPARGPPARANPC1CASP3
SCHEMBL957155 0.76 PTPN1 (0.61) PPARGPPARANPC1CASP3RAB9A

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-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed