SCHEMBL8206045

SCHEMBL8206045

CCCCc1cc(C(=O)NC(Cc2ccccc2)C2=COCO2)c(NC(=O)c2ccc(C(=O)O)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
PLK1 P53350 10/20 0.38
PLK3 Q9H4B4 4/20 0.38
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GALR1 P47211 1/20 0.34
SLC16A3 O15427 1/20 0.34

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
SCHEMBL8206226 0.96 ALDH1A1 (0.42) GRIN2CALDH1A1KDM4EHPGDPLK1
SCHEMBL8199938 0.93 ALDH1A1 (0.38) GRIN2CALDH1A1KDM4EHPGDTRPV1
SCHEMBL8207755 0.92 GRIN2C (0.48) GRIN2CALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8200375 0.89 ALDH1A1 (0.41) GRIN2CALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8200315 0.84 ALOX15 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL8210397 0.81 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL8212434 0.80 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL8212891 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL8198895 0.79 SMN1; SMN2 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL8200330 0.78 MAPT (0.45) GRIN2CALDH1A1KDM4EHPGDHTT

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed