SCHEMBL29158684

SCHEMBL29158684

O=C(NCCc1ccc(O)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
EIF4E P06730 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC6A5 Q9Y345 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
HDAC4 P56524 1/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL29158755 0.94 RAB9A (0.43) POLBEIF4ETAAR1ALDH1A1SMN1; SMN2
SCHEMBL30106366 0.89 POLB (0.53) POLBEIF4EALDH1A1SMN1; SMN2LMNA
SCHEMBL29158589 0.88 EIF4E (0.45) POLBEIF4EALDH1A1LMNAKDM4E
SCHEMBL29158753 0.87 EIF4E (0.44) POLBEIF4EALDH1A1SMN1; SMN2LMNA
SCHEMBL29158587 0.86 TRPV1 (0.46) POLBEIF4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL27189055 0.86 POLB (0.50) POLBEIF4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL29158612 0.85 EIF4E (0.43) POLBEIF4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL29158703 0.85 EIF4E (0.43) POLBEIF4EALDH1A1LMNAKDM4E
SCHEMBL29158660 0.85 EIF4E (0.42) POLBEIF4EALDH1A1LMNAKDM4E
SCHEMBL30106332 0.85 TAAR1 (0.52) TAAR1SLC6A5SMN1; SMN2PLAAT3PLAAT5

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 3 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
WO-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed