SCHEMBL13239446

SCHEMBL13239446

CCCN(CC)C(=O)c1cc(C)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.50
HPGD P15428 9/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HCAR1 Q9BXC0 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
MLYCD O95822 1/20 0.40
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL2953707 0.93 TPMT (0.53) TPMTHPGDLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6172498 0.92 TPMT (0.52) TPMTHPGDLMNAMEN1KMT2A
SCHEMBL6647950 0.86 HPGD (0.42) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23471123 0.83 ALDH1A1 (0.44) HPGDLMNAGAATSHRALDH1A1
SCHEMBL14141210 0.83 TP53 (0.50) TPMTHPGDLMNAMEN1KMT2A
SCHEMBL13306259 0.82 TPMT (0.52) TPMTHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL29475792 0.81 HPGD (0.54) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7115213 0.81 MLYCD (0.43) TPMTHPGDMLYCDBACE1BACE2
SCHEMBL3195578 0.80 TPMT (0.46) TPMTHPGDLMNAMEN1KMT2A
SCHEMBL3886133 0.80 MLYCD (0.45) HPGDSMN1; SMN2ALDH1A1MLYCDBACE1

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-7763646-B2 Compounds for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763646-B2 Compounds for the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed