SCHEMBL18826014

SCHEMBL18826014

CC(C)=CCCc1ccsc1C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 1/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
BCL2L1 Q07817 2/20 0.32
MCL1 Q07820 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAOB P27338 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18825994 0.83 HTT (0.42) MEN1KMT2AALDH1A1MAOBHTT
SCHEMBL12914551 0.77 TP53 (0.30) KMT2AALOX15
SCHEMBL6816923 0.77 PRKCI (0.33) MEN1KMT2APKM
SCHEMBL14560384 0.74 LMNA (0.44) MEN1KMT2AALDH1A1PKMTSHR
SCHEMBL2065835 0.74
SCHEMBL14560383 0.74 CA2 (0.35)
SCHEMBL6819727 0.74 TYR (0.38) MEN1KMT2AALDH1A1PPARGPPARA
SCHEMBL14560373 0.72 LTB4R (0.40) ALDH1A1MCL1
SCHEMBL18825997 0.72 HIF1A (0.40) MEN1KMT2APPARGPPARABCL2L1
SCHEMBL18826034 0.72 HIF1A (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473911-B Formylthiophenes and their use in flavour and fragrance compositions 国际香料和香精公司 2021-10-29 CN claimed
EP-3371291-B1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2020-02-19 EP claimed
EP-3371291-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS International Flavors & Fragrances Inc. (US) 2018-09-12 EP claimed
WO-2017079368-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-05-11 WO claimed
CN-108473911-B Formylthiophenes and their use in flavour and fragrance compositions 国际香料和香精公司 2021-10-29 CN disclosed
EP-3371291-B1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2020-02-19 EP disclosed
EP-3371291-B1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2020-02-19 EP disclosed
EP-3371291-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS International Flavors & Fragrances Inc. (US) 2018-09-12 EP disclosed
WO-2017079368-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-05-11 WO disclosed
WO-2017079368-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-05-11 WO disclosed