SCHEMBL5220726

SCHEMBL5220726

O=C(O)C(NCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G1B P04054 2/20 0.46
ATG4B Q9Y4P1 2/20 0.46
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL2145742 0.83 HPGD (0.47) HTTALDH1A1RAB9AHPGDLMNA
SCHEMBL3151234 0.82 ACP3 (0.50) ALDH1A1POLBCYP1A2CYP2C19KMT2A
SCHEMBL6241638 0.81 MAPK1 (0.55) MAPK1HTTALDH1A1RAB9AHPGD
SCHEMBL28594958 0.81 MAPK1 (0.55) MAPK1HTTALDH1A1RAB9AHPGD
SCHEMBL11184662 0.81 MEN1 (0.55) ALDH1A1RAB9ALMNACYP1A2CYP2C19
SCHEMBL1098155 0.80 ALDH1A1 (0.62) MAPK1HTTALDH1A1PLA2G1BATG4B
SCHEMBL29597658 0.79 ALDH1A1 (0.50) MAPK1HTTALDH1A1RAB9AHPGD
SCHEMBL1760821 0.79 ALDH1A1 (0.50) MAPK1HTTALDH1A1RAB9AHPGD
SCHEMBL1760830 0.79 ALDH1A1 (0.50) MAPK1HTTALDH1A1RAB9AHPGD
SCHEMBL19581784 0.79 MAPK1 (0.68) MAPK1HTTALDH1A1RAB9AHPGD

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
EP-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP claimed
US-7217707-B2 Amide of R-2-(aminoaryl)-propionic acid for use in the prevention of leucocyte activation DOMPE S.P.A. (IT) 2007-05-15 US claimed