SCHEMBL30741111

SCHEMBL30741111

CCOC(=O)c1c[nH]c(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL1156651 0.86 GCGR (0.53) GCGRMAPK14NPC1KDM4EMAPT
SCHEMBL29552309 0.83 ALPL (0.51) GCGRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30741072 0.83 JAK2 (0.52) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL30740939 0.82 CA12 (0.42) GCGRMAPK14CA12CA1CA2
SCHEMBL1156503 0.80 SMN1; SMN2 (0.54) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL30740988 0.80 JAK2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29551706 0.80 MAPT (0.47) GCGRMAPK14KDM4EMAPTIMPDH2
SCHEMBL30741062 0.80 JAK2 (0.52) MAPTCYP1A2
SCHEMBL1156007 0.80 L3MBTL1 (0.52) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL1278441 0.80 CA12 (0.41) CA12CA1CA2CA7CA9

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
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed