SCHEMBL29158596

SCHEMBL29158596

CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1cccc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TARBP2 Q15633 6/20 0.54
PDCD4 Q53EL6 1/20 0.54
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.46
IKBKB O14920 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.45
DHODH Q02127 1/20 0.44

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
SCHEMBL29158727 0.92 TARBP2 (0.50) KDM4EHPGDSMN1; SMN2TDP1NPSR1
SCHEMBL29158621 0.90 KMT2A (0.54) KDM4EHPGDTARBP2PDCD4MAPT
SCHEMBL31466885 0.89 TARBP2 (0.53) KDM4EHPGDTARBP2PDCD4MAPT
SCHEMBL29158788 0.89 TARBP2 (0.66) KDM4EHPGDNPSR1TARBP2PDCD4
SCHEMBL29158706 0.87 TARBP2 (0.51) KDM4EHPGDSMN1; SMN2TARBP2PDCD4
SCHEMBL29158606 0.87 TARBP2 (0.63) KDM4EHPGDTARBP2PDCD4MAPT
SCHEMBL29158800 0.86 TARBP2 (0.50) KDM4EHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27189106 0.85 SMN1; SMN2 (0.54) KDM4EHPGDSMN1; SMN2TDP1NPSR1
SCHEMBL29158768 0.85 TARBP2 (0.49) KDM4EHPGDTARBP2PDCD4MAPT
SCHEMBL29158607 0.85 TARBP2 (0.55) KDM4EHPGDSMN1; SMN2NPSR1TARBP2

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 2 patents. 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 claimed
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