SCHEMBL22870840

SCHEMBL22870840

CNC[C@H](C)[C@@H](C)[C@H](C)[C@H](O)CO

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18911510 0.83
SCHEMBL22446638 0.81 KDM4E (0.62) KDM4ETDP1LMNAL3MBTL1
SCHEMBL27291408 0.77 KDM4E (0.71) KDM4ETDP1LMNAL3MBTL1
SCHEMBL10061322 0.77 KDM4E (0.71) KDM4ETDP1LMNAL3MBTL1
SCHEMBL26031787 0.73 KDM4E (0.71) KDM4ETDP1LMNAL3MBTL1
SCHEMBL21605306 0.72 TAAR1 (0.30)
SCHEMBL6484888 0.72
SCHEMBL10459066 0.71 KDM4E (0.61) KDM4ETDP1LMNAL3MBTL1
SCHEMBL12139121 0.71 TDP1 (0.53) KDM4ETDP1LMNAL3MBTL1
SCHEMBL15456942 0.71 TDP1 (0.53) KDM4ETDP1LMNAL3MBTL1

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
WO-2021001858-A1 IMPROVED PROCESS FOR THE PREPARATION OF 2-(3,5-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID OR ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2021-01-07 WO disclosed