SCHEMBL30741010

SCHEMBL30741010

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
NOTUM Q6P988 5/20 0.44
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
PDK2 Q15119 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
COMT P21964 1/20 0.39

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
SCHEMBL29551706 0.83 MAPT (0.47) KDM4EMAPTALDH1A1
SCHEMBL29552309 0.81 ALPL (0.51) TP53MAPTRAB9A
SCHEMBL403261 0.81 CA12 (0.51) KDRDHODHKDM4ETP53MAPT
SCHEMBL30741079 0.81 MAPT (0.53) KDM4EMAPTALDH1A1
SCHEMBL30741041 0.79 POLB (0.46) TP53
SCHEMBL30741111 0.79 HDAC3 (0.41) KDM4EMAPTCYP1A2RAB9A
SCHEMBL1156651 0.78 GCGR (0.53) KDM4EMAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL1156085 0.78 KDM4E (0.47) KDM4EMAPTALDH1A1CYP1A2RAB9A
SCHEMBL30740953 0.78 KDM4E (0.47) KDM4EMAPTALDH1A1CYP1A2RAB9A
SCHEMBL30741062 0.78 JAK2 (0.52) MAPTALDH1A1L3MBTL1CYP1A2

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