SCHEMBL18829280

SCHEMBL18829280

COCOCN[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.43
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.38
CTSS P25774 2/20 0.37
GLS O94925 1/20 0.37
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.37
CTSK P43235 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CTSL P07711 1/20 0.36

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
SCHEMBL21143280 0.87 KMT2A (0.49) KMT2AMEN1ATMTSHRAPAF1
SCHEMBL18422110 0.81 KMT2A (0.47) KMT2AMEN1ATMTSHRAPAF1
SCHEMBL434230 0.79 HTT (0.49) KMT2AMEN1ATMTSHRSMN1; SMN2
SCHEMBL21896917 0.76 CTSS (0.44) KMT2AMEN1ATMTSHRAPAF1
SCHEMBL19333959 0.74 APAF1 (0.49) KMT2AMEN1ATMAPAF1SMN1; SMN2
SCHEMBL306216 0.74 APAF1 (0.49) KMT2AMEN1ATMAPAF1SMN1; SMN2
SCHEMBL536302 0.74 APAF1 (0.49) KMT2AMEN1ATMAPAF1SMN1; SMN2
SCHEMBL14015971 0.74 MTOR (0.52) KMT2AMEN1TSHRAPAF1ALDH1A1
Hydrochloric Acid SCHEMBL304495 0.73 APAF1 (0.47) KMT2AMEN1ATMAPAF1SMN1; SMN2
Hydrochloric Acid SCHEMBL2552987 0.73 APAF1 (0.47) KMT2AMEN1ATMAPAF1SMN1; SMN2

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
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed