SCHEMBL30106332

SCHEMBL30106332

O=C(NCCc1ccc(O)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
DGAT1 O75907 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A5 Q9Y345 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
FAAH O00519 1/20 0.46
HIF1A Q16665 1/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MLYCD O95822 1/20 0.43
ESRRB O95718 1/20 0.43
ESRRG P62508 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL27189062 0.85 DGAT1 (0.48) DGAT1FAAHTP53SMN1; SMN2PPARD
SCHEMBL29158684 0.85 POLB (0.44) TAAR1DGAT1HDAC4SLC6A5PLAAT3
SCHEMBL27189073 0.83 DGAT1 (0.49) DGAT1HDAC4
SCHEMBL30106389 0.83 HDAC4 (0.48) DGAT1HDAC4KDM4E
SCHEMBL27189116 0.82 IKBKB (0.48) DGAT1HDAC4PPARGPPARD
SCHEMBL29158719 0.79 CD274 (0.49) HDAC4EPHX2
SCHEMBL29158755 0.79 RAB9A (0.43) TAAR1HDAC4PLAAT3PLAAT5PLAAT2
SCHEMBL30106348 0.78 GSK3B (0.49) DGAT1SMN1; SMN2
SCHEMBL30106349 0.78 CASP6 (0.50) DGAT1TP53MAPTLMNA
SCHEMBL27189069 0.78 CASP6 (0.50) DGAT1TP53MAPTLMNA

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
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