SCHEMBL31527945

SCHEMBL31527945

C=C(C)C(=O)Oc1nc(-c2ccc(Oc3ccccn3)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 10/20 0.46
▸ PPARA Q07869 10/20 0.46
▸ ACACB O00763 8/20 0.46
▸ IP6K1 Q92551 1/20 0.45
▸ IP6K3 Q96PC2 1/20 0.45
▸ IP6K2 Q9UHH9 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ DHODH Q02127 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30689347 0.74 IP6K1 (0.48) PPARDPPARAACACBIP6K1IP6K3
SCHEMBL30689348 0.74 IP6K1 (0.41) PPARDPPARAACACBIP6K1IP6K3
SCHEMBL3062915 0.72 NPC1 (0.51) PPARDPPARAIP6K1IP6K3IP6K2
SCHEMBL1055983 0.72 ELANE (0.46) RAB9ALMNATSHRNPC1MAPT
SCHEMBL5598667 0.69 RAB9A (0.58) ACACBIP6K1IP6K3IP6K2RAB9A
SCHEMBL2959744 0.68 ELANE (0.57) RAB9ALMNATSHRDHODHNPC1
SCHEMBL6466700 0.68 RAB9A (0.57) PPARDPPARARAB9ALMNATSHR
SCHEMBL31707536 0.67 GSTP1 (0.45) PPARDPPARARAB9ALMNATSHR
SCHEMBL31013618 0.67 ELANE (0.50) RAB9ALMNATSHRNPC1TP53
SCHEMBL3052115 0.67 PPARD (0.53) PPARDPPARARAB9ALMNATSHR

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-119968366-A Oxadiazole derivatives, methods of preparation and use thereof in the treatment of inflammatory diseases 西特瑞治疗有限公司 2025-05-09 — — CN disclosed
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