SCHEMBL1123323

SCHEMBL1123323

CCCCOc1ccc(COc2ccc(C(=O)Nc3ccccc3OCc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.64
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
SENP7 Q9BQF6 3/20 0.62
CASP3 P42574 2/20 0.62
TAAR1 Q96RJ0 1/20 0.62
SENP8 Q96LD8 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 2/20 0.57
CACNA1H O95180 1/20 0.57
CACNA1B Q00975 1/20 0.57
HDAC3 O15379 2/20 0.57
NCOR2 Q9Y618 1/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 1/20 0.57
BRD4 O60885 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56

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
SCHEMBL1123204 0.93 SENP7 (0.65) PLK1NPC1RAB9ASMN1; SMN2SENP7
SCHEMBL5936643 0.88 SMN1; SMN2 (0.61) PLK1NPC1RAB9ASMN1; SMN2SENP7
SCHEMBL5936652 0.87 NPC1 (0.62) PLK1NPC1RAB9ASMN1; SMN2SENP7
SCHEMBL9347607 0.85 SENP7 (0.66) PLK1NPC1RAB9ASMN1; SMN2SENP7
SCHEMBL9351304 0.85 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2SENP7CASP3
SCHEMBL9348945 0.85 PPARA (0.58) PLK1NPC1RAB9ASMN1; SMN2SENP7
SCHEMBL1123096 0.84 RAB9A (0.60) NPC1RAB9ASMN1; SMN2SENP7CASP3
SCHEMBL1123501 0.83 L3MBTL1 (0.63) NPC1RAB9ASMN1; SMN2SENP7CASP3
SCHEMBL1123418 0.83 NR1H4 (0.65) NPC1RAB9ASMN1; SMN2SENP7CASP3
SCHEMBL1122992 0.83 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2SENP7CASP3

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP claimed