SCHEMBL3103334

SCHEMBL3103334

NC(=O)[C@H](Cc1c[nH]c2ccccc12)NCP(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.55
MC1R Q01726 2/20 0.55
ECE1 P42892 2/20 0.55
HPGDS O60760 2/20 0.54
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
ERAP2 Q6P179 3/20 0.51
ITGB2 P05107 3/20 0.50
ICAM1 P05362 3/20 0.50
ITGAL P20701 3/20 0.50
F10 P00742 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL3103327 1.00 MC5R (0.55) MC5RMC1RECE1HPGDSKDM4E
SCHEMBL2989565 0.89 ALOX15 (0.60) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2989562 0.89 ALOX15 (0.60) KDM4EMAPTMEN1LMNAMPO
SCHEMBL3086291 0.88 ALDH1A1 (0.49) MC5RMC1RECE1HPGDSMAPT
SCHEMBL3101483 0.87 KCNT1 (0.55) ITGB2ICAM1ITGALSMN1; SMN2ALOX15
SCHEMBL3101652 0.84 ECE1 (0.53) MC5RMC1RECE1HPGDSKDM4E
SCHEMBL9026907 0.82 ECE1 (0.65) MC5RMC1RECE1HPGDSKDM4E
SCHEMBL13578562 0.82 ECE1 (0.62) MC5RMC1RECE1HPGDSKDM4E
SCHEMBL27923213 0.81 KCNT1 (0.66) MC5RMC1RECE1KDM4EMAPT
SCHEMBL901464 0.81 KCNT1 (0.66) MC5RMC1RECE1KDM4EMAPT

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