SCHEMBL18825907

SCHEMBL18825907

CC(C)=CCCc1ccsc1C1OCCO1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
TAAR1 Q96RJ0 8/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
COPS5 Q92905 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.30
BCL2 P10415 2/20 0.30
BCL2L1 Q07817 2/20 0.30
MCL1 Q07820 2/20 0.30

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
SCHEMBL18826014 0.69 COPS5 (0.40) FNTAPGGT1BCOPS5MEN1KMT2A
SCHEMBL971483 0.67 KDM4E (0.37) TAAR1HTR1ADRD2HTR7ALDH1A1
SCHEMBL14768450 0.65 KMT2A (0.46) FNTAMEN1KMT2AALDH1A1
SCHEMBL470176 0.64 KEAP1 (0.38) TAAR1HTR1ADRD2HTR7ALDH1A1
SCHEMBL1858414 0.63 TAAR1 (0.36) TAAR1HTR1ADRD2HTR7
SCHEMBL27386493 0.63 KEAP1 (0.39) TAAR1HTR1ADRD2HTR7KMT2A
SCHEMBL11496788 0.63 CHRM2 (0.36) TAAR1HTR1ADRD2HTR7MEN1
SCHEMBL6420647 0.61 ALDH1A1 (0.36) TAAR1HTR1ADRD2HTR7ALDH1A1
SCHEMBL21505763 0.59 TAAR1 (0.35) TAAR1HTR1ADRD2HTR7MEN1
SCHEMBL29939776 0.58 TAAR1 (0.50) TAAR1ALDH1A1POLB

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 5 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 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