SCHEMBL7537102

SCHEMBL7537102

NN(c1ccccc1)C(CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD2 O60906 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3276902 1.00 SMPD2 (0.39) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL6550464 0.83 ALDH1A1 (0.44) NPSR1ALDH1A1KMT2ANPC1POLB
Hydrochloric Acid SCHEMBL2313635 0.81 ALDH1A1 (0.43) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL21776703 0.80 NPSR1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL29442908 0.78 NPSR1 (0.40) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL3276914 0.78 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL27779216 0.78 SMPD2 (0.38) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL4564576 0.77 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL10381409 0.77 ALDH1A1 (0.41) SMPD2NPSR1ALDH1A1KMT2ANPC1
SCHEMBL3272814 0.77 SMPD2 (0.42) SMPD2NPSR1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1898213-A Heteroaroyl-substituted phenylalanineamides with herbicidal action BASF AG (DE) 2007-01-17 CN disclosed
CN-1894202-A Benzoyl-substituted phenylalanine amides BASF AG (DE) 2007-01-10 CN disclosed
EP-1203083-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION Diversa Corporation (US) 2002-05-08 EP disclosed
WO-2000070056-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION DIVERSA CORPORATION (US) 2000-11-23 WO disclosed