SCHEMBL5657588

SCHEMBL5657588

COc1ccc(C(=O)c2ccc(CCC(=O)O)c(N)c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 4/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL28134004 0.94 NPC1 (0.56) NPC1POLBLMNAKMT2ACYP1A2
SCHEMBL28134795 0.91 HTT (0.59) NPC1POLBLMNACYP1A2CYP2C19
SCHEMBL28134782 0.85 HTT (0.58) NPC1POLBLMNAHTTMAPT
SCHEMBL28133971 0.81 LMNA (0.49) POLBLMNAHTTNPSR1ALDH1A1
SCHEMBL5655185 0.81 TUBB4A (0.44) NPC1POLBLMNARAB9AHTT
SCHEMBL490637 0.78 POLB (0.71) NPC1POLBCYP1A2CYP2C19PKM
SCHEMBL9321551 0.77 NPC1 (0.57) NPC1POLBLMNAKMT2ACYP1A2
SCHEMBL12228745 0.76 NPC1 (0.68) NPC1POLBLMNAKMT2ACYP1A2
SCHEMBL2968686 0.76 NPC1 (0.60) NPC1POLBLMNAKMT2ACYP1A2
SCHEMBL3182853 0.76 NPC1 (0.68) NPC1POLBLMNAKMT2ACYP1A2

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
CN-101842101-A Salicylanilide modified peptides for use as oral therapeutics UNIV CALIFORNINA 2010-09-22 CN disclosed
CN-101522207-A Salicylanilides enhance oral delivery of therapeutic peptides UNIV CALIFORNINA (US) 2009-09-02 CN disclosed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed