SCHEMBL3086291

SCHEMBL3086291

NC(=O)[C@H](CCc1c[nH]c2ccccc12)NCP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MC5R P33032 2/20 0.48
MC1R Q01726 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SIRT1 Q96EB6 2/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
ECE1 P42892 1/20 0.46
ANPEP P15144 2/20 0.46

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
SCHEMBL2996583 0.89 KMT2A (0.51) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3103327 0.88 MC5R (0.55) MAPTMC5RMC1RMEN1KMT2A
SCHEMBL3103334 0.88 MC5R (0.55) MAPTMC5RMC1RMEN1KMT2A
SCHEMBL3094241 0.86 ALDH1A1 (0.47) ALDH1A1MAPTGAAMC5RMC1R
SCHEMBL7312422 0.80 ECE1 (0.56) ECE1ANPEPIL1RNERAP2ERAP1
SCHEMBL2989565 0.80 ALOX15 (0.60) MAPTMEN1KMT2ALMNATSHR
SCHEMBL2989562 0.80 ALOX15 (0.60) MAPTMEN1KMT2ALMNATSHR
SCHEMBL3101483 0.78 KCNT1 (0.55) ALOX15
SCHEMBL3100866 0.77 ALDH1A1 (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3100693 0.76 ERAP1 (0.54) ECE1ANPEPIL1RNERAP2ERAP1

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-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed