SCHEMBL21665232

SCHEMBL21665232

COc1ccc(C(=O)c2ccc(OCC(=O)O)cc2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.73
LMNA P02545 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
POLB P06746 2/20 0.60
MAPT P10636 3/20 0.57
HTT P42858 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 4/20 0.55
PTPRC P08575 1/20 0.53
PTPRF P10586 1/20 0.53
PTPN1 P18031 1/20 0.53
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
CDC25C P30307 1/20 0.53

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
SCHEMBL9856196 0.87 POLB (0.76) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL3182853 0.85 NPC1 (0.68) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL29414999 0.85 NPC1 (1.00) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL5902231 0.85 NPC1 (1.00) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL25410220 0.83 NPC1 (0.73) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL29404984 0.83 NPC1 (0.73) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL16335116 0.83 NPC1 (0.73) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL30205105 0.82 NPC1 (0.81) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL3224251 0.82 NPC1 (0.81) NPC1LMNACYP1A2CYP2C19KMT2A
SCHEMBL21665230 0.82 NPC1 (0.59) NPC1LMNACYP1A2CYP2C19KMT2A

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
WO-2020027737-A1 A SOLID-SUPPORTED HYDROXY AMINO ACID AND A SOLID-SUPPORTED AMINO ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-02-06 WO disclosed
CN-102659596-A Synthesizing method of ethyl [4-(2,4-dimethoxy-benzoyl)-phenoxy]-acetate SUZHOU HIGHFINE BIOTECH CO LTD 2012-09-12 CN disclosed
CN-102659596-A Synthesizing method of ethyl [4-(2,4-dimethoxy-benzoyl)-phenoxy]-acetate SUZHOU HIGHFINE BIOTECH CO LTD 2012-09-12 CN disclosed