SCHEMBL6000384

SCHEMBL6000384

Nc1cc2c(c(C(=O)O)c1N)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.55
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX12 P18054 3/20 0.53
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 2/20 0.53
BRCA1 P38398 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMAD3 P84022 1/20 0.52
PRMT1 Q99873 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP3A4 P08684 2/20 0.36

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
SCHEMBL139173 0.82 FTO (0.65) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL6479542 0.82 FTO (0.58) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL6037012 0.82 ALDH1A1 (0.56) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL213292 0.81 HPGD (0.53) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL6535901 0.81 HPGD (0.55) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL8658740 0.81 FTO (0.57) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL9251978 0.80 FTO (0.58) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL4802179 0.80 HPGD (0.51) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL7907421 0.79 ALDH1A1 (0.53) FTOHPGDALDH1A1ALOX12CYP2C9
SCHEMBL3468980 0.78 HPGD (0.49) FTOHPGDALDH1A1ALOX12CYP2C9

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-20060216238-A1 Compositions and methods for targeting or imaging a tissue in a vertebrate subject NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-09-28 US disclosed
WO-2006093967-A2 COMPOSITIONS AND METHODS FOR TARGETING OR IMAGING A TISSUE IN A VERTEBRATE SUBJECT THE SCRIPPS RESEARCH INSTITUTE (US) 2006-09-08 WO disclosed