SCHEMBL4801729

SCHEMBL4801729

Nc1cccc(C(=O)O)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.62
SRD5A2 P31213 1/20 0.52
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
MMP2 P08253 1/20 0.49
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL6917724 0.86 MAPT (0.66) NR4A1SRD5A2ALDH1A1POLBGAA
SCHEMBL26187139 0.83 AKR1C3 (0.62) SRD5A2ALDH1A1POLBGAAMAPT
SCHEMBL1820530 0.83 NR4A1 (0.66) NR4A1SRD5A2ALDH1A1POLBGAA
SCHEMBL4551433 0.80 NR4A1 (0.62) NR4A1SRD5A2ALDH1A1GAAFNTA
SCHEMBL30038107 0.80 MEN1 (0.52) ALDH1A1POLBGAAMAPTMMP2
SCHEMBL1821327 0.80 NR4A1 (0.62) NR4A1SRD5A2ALDH1A1GAAFNTA
SCHEMBL1246659 0.80 NR4A1 (0.62) NR4A1SRD5A2ALDH1A1GAAFNTA
SCHEMBL5056823 0.80 ALDH1A1 (0.58) ALDH1A1POLBGAAMAPTMMP2
SCHEMBL29583954 0.80 NR4A1 (0.62) NR4A1SRD5A2ALDH1A1GAAFNTA
SCHEMBL332626 0.79 MAPT (0.71) NR4A1SRD5A2ALDH1A1POLBGAA

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
US-7427260-B2 Efficient methods for solid phase synthesis using trityl chloride resins MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-09-23 US disclosed
US-20040096904-A1 Efficient methods for solid phase synthesis using trityl chloride resins MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2004-05-20 US disclosed
WO-2002079278-A1 EFFICIENT METHODS FOR SOLID PHASE SYNTHESIS USING TRITYL CHLORIDE RESINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2002-10-10 WO disclosed