SCHEMBL30014477

SCHEMBL30014477

O=C(O)/C=C/c1cccc(Oc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.68
▸ PTGS1 P23219 2/20 0.68
▸ PTGS2 P35354 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ PKM P14618 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ RHOA P61586 1/20 0.63
▸ SRD5A2 P31213 1/20 0.62
▸ MEN1 O00255 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HDAC3 O15379 1/20 0.60
▸ TNKS O95271 1/20 0.60
▸ HDAC4 P56524 1/20 0.60
▸ HDAC1 Q13547 1/20 0.60
▸ HCAR2 Q8TDS4 1/20 0.60
▸ HDAC7 Q8WUI4 1/20 0.60

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
SCHEMBL1206895 1.00 ALOX5 (0.68) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL1206897 1.00 ALOX5 (0.68) ALOX5PTGS1PTGS2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11175049 0.98 ALOX5 (0.67) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL9380275 0.91 KDM4E (0.59) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL9380269 0.91 KDM4E (0.59) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL7332640 0.90 ALOX5 (0.68) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL8494290 0.90 ALOX5 (0.68) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL8783371 0.89 ALDH1A1 (0.57) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL28893713 0.89 ALDH1A1 (0.57) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL9379839 0.89 THRB (0.64) ALOX5PTGS1PTGS2KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 — — EP disclosed
CN-119790041-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-04-08 — — CN disclosed
CN-115368263-B Synthesis and pharmaceutical application of cinnamic acid amide derivative 南开大学 2024-05-17 — — CN disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 — — CN disclosed
CN-112204018-B Acrylic compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-08-29 — — CN disclosed
CN-115368263-A Synthesis of cinnamic acid amide derivative and pharmaceutical application thereof 南开大学 2022-11-22 — — CN disclosed
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