SCHEMBL8716829

SCHEMBL8716829

CC(=O)c1c(N)c(C(=O)O)cc(C(=O)OCc2ccccc2)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 5/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL23812489 0.83 ALDH1A1 (0.55) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL6139502 0.82 ALDH1A1 (0.62) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL8504749 0.82 ALDH1A1 (0.55) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL12114030 0.79 ALDH1A1 (0.77) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL2588443 0.77 ALDH1A1 (0.72) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL23812435 0.77 ALDH1A1 (0.58) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL21027551 0.77 ALDH1A1 (0.73) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL23812450 0.77 TDP1 (0.64) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL11441199 0.76 ALDH1A1 (0.62) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL23812467 0.75 ALDH1A1 (0.60) ALDH1A1RAB9AMAPK1NPC1SMN1; SMN2

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
US-5756502-A APPETITE SUPPRESSANTS AND ANTISECRETORY AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-26 US disclosed