SCHEMBL29158587

SCHEMBL29158587

COCCNC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
EIF4E P06730 3/20 0.43
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
DGAT1 O75907 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38

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
SCHEMBL29158753 0.90 EIF4E (0.44) TRPV1EIF4EPOLBMEN1KMT2A
SCHEMBL29158589 0.89 EIF4E (0.45) TRPV1EIF4EPOLBMEN1KMT2A
SCHEMBL29158612 0.89 EIF4E (0.43) TRPV1EIF4EHDAC4HDAC6POLB
SCHEMBL30106286 0.88 EIF4E (0.41) TRPV1EIF4EPOLBMEN1KMT2A
SCHEMBL29158660 0.88 EIF4E (0.42) TRPV1EIF4EPOLBMEN1KMT2A
SCHEMBL30106335 0.87 GAA (0.43) TRPV1EIF4EPOLBMEN1KMT2A
SCHEMBL29158703 0.87 EIF4E (0.43) TRPV1EIF4EPOLBMEN1KMT2A
SCHEMBL30106366 0.86 POLB (0.53) EIF4EPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL29158684 0.86 POLB (0.44) EIF4EHDAC4POLBSMN1; SMN2LMNA
SCHEMBL29158630 0.86 HPGD (0.51) POLBABCG2MAPTALDH1A1GAA

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