SCHEMBL13918436

SCHEMBL13918436

COC(=O)c1ccc(OCCCc2ccc(OCc3ccccc3OC(C)C)cc2)c(C(=O)NC2CCCC(C(=O)OC)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.59
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
PTPN1 P18031 2/20 0.33
FKBP1A P62942 1/20 0.33
CFTR P13569 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4526968 0.91 CYSLTR2 (0.59) CYSLTR2ALDH1A1MEN1KMT2ALNPEP
SCHEMBL13918412 0.90 CYSLTR2 (0.60) CYSLTR2ALDH1A1MEN1KMT2ALNPEP
SCHEMBL13918439 0.89 CYSLTR2 (0.76) CYSLTR2FFAR4ALDH1A1MEN1KMT2A
SCHEMBL13918309 0.88 CYSLTR2 (0.68) CYSLTR2ALDH1A1MEN1KMT2ALNPEP
SCHEMBL13932995 0.87 CYSLTR2 (0.75) CYSLTR2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4521894 0.87 CYSLTR2 (0.78) CYSLTR2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4521709 0.86 CYSLTR2 (0.59) CYSLTR2ALDH1A1MEN1KMT2ALNPEP
SCHEMBL13918386 0.86 CYSLTR2 (0.59) CYSLTR2ALDH1A1MEN1KMT2ALNPEP
SCHEMBL4520534 0.86 CYSLTR2 (0.68) CYSLTR2FFAR4ALDH1A1MEN1KMT2A
SCHEMBL13918313 0.85 CYSLTR2 (0.61) CYSLTR2MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed