SCHEMBL8902251

SCHEMBL8902251

C[C@H](N[C@@H](c1ccccc1F)[C@@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.41
APAF1 O14727 1/20 0.41
ACP3 P15309 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8829781 0.83 APAF1 (0.49) APAF1ACP3MEN1KMT2AHSD17B10
SCHEMBL8430344 0.83 APAF1 (0.49) APAF1ACP3MEN1KMT2AHSD17B10
SCHEMBL8829710 0.81 NPC1 (0.52) NPC1APAF1ACP3CYP3A4CYP2D6
SCHEMBL8430465 0.81 NPC1 (0.52) NPC1APAF1ACP3CYP3A4CYP2D6
SCHEMBL4102918 0.78 GAA (0.44) GAAMEN1KMT2ACES2CES1
SCHEMBL28539345 0.76 SIGMAR1 (0.46) GAANPC1ACP3MEN1KMT2A
SCHEMBL28539344 0.76 SIGMAR1 (0.46) GAANPC1ACP3MEN1KMT2A
SCHEMBL4178016 0.75 HTT (0.44) GAAMEN1KMT2ACYP3A4CES2
SCHEMBL335774 0.75 GAA (0.47) GAAMEN1KMT2ACYP3A4LMNA
SCHEMBL8829775 0.75 CASR (0.48) ACP3

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-5686622-A Thiazolidine derivatives, their preparation and the medicaments containing the same RHONE-POULENC RORER S.A. (FR) 1997-11-11 US disclosed