SCHEMBL6692576

SCHEMBL6692576

Cc1ccc(-c2ccccc2)c(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
FOLH1 Q04609 2/20 0.45
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
TSHR P16473 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HNF4A P41235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39

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
SCHEMBL8734543 0.88 HNF4A (0.51) FOLH1FABP3FABP4TSHRL3MBTL1
SCHEMBL23521242 0.87 FOLH1 (0.53) FOLH1FABP3FABP4TSHRKMT2A
SCHEMBL4621115 0.86 LDHA (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2LDHA
SCHEMBL5720759 0.86 ESR2 (0.44) ESR2FOLH1FABP3FABP4TSHR
SCHEMBL30371937 0.86 LDHA (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2LDHA
SCHEMBL1775363 0.86 ESR2 (0.44) ESR2FOLH1TSHRPDE10AKMT2A
SCHEMBL6636942 0.85 ESR2 (0.43) ESR2FOLH1FABP3FABP4TSHR
SCHEMBL29485413 0.84 FOLH1 (0.53) FOLH1FABP3FABP4TDP1L3MBTL1
SCHEMBL3229734 0.84 FOLH1 (0.53) FOLH1FABP3FABP4TDP1L3MBTL1
SCHEMBL9954274 0.83 MEN1 (0.43) ESR2FOLH1TSHRPDE10AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678809-B Synthesis method and application of tetrazole functionalized UIO-67 山西大学 2020-09-29 CN claimed
CN-109678809-B Synthesis method and application of tetrazole functionalized UIO-67 山西大学 2020-09-29 CN disclosed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed