SCHEMBL27675503

SCHEMBL27675503

NCC(=O)N(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
LMNA P02545 3/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL7758915 0.90 ALDH1A1 (0.48) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL9118903 0.87 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL9780066 0.87 CA1 (0.48) CA12CA1CA2CA9
SCHEMBL7622069 0.87 ALDH1A1 (0.39) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL6214940 0.85 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7761467 0.85 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27382574 0.84 ALDH1A1 (0.47) ALDH1A1KMT2AL3MBTL1MAPTHPGD
SCHEMBL3781711 0.82 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL11756539 0.82 ALDH1A1 (0.41) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL24340465 0.81 ALDH1A1 (0.58) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-86102923-A The method for preparing antibiotic derivatives 1986-11-12 CN disclosed