SCHEMBL8167373

SCHEMBL8167373

O=Cc1sccc1C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CEL P19835 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CAMKK1 Q8N5S9 2/20 0.32
CAMKK2 Q96RR4 2/20 0.32
HPGD P15428 1/20 0.32
NEK2 P51955 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
SCHEMBL18825990 0.98 CEL (0.35) LMNAALDH1A1NPC1MAPTNFKB1
SCHEMBL2126610 0.92 HSD17B10 (0.32) LMNAALDH1A1NPC1MAPTNFKB1
SCHEMBL4973739 0.72 CA1 (0.37)
SCHEMBL4458509 0.69 CEL (0.35) LMNACELHSP90AA1CAMKK1CAMKK2
SCHEMBL7324741 0.69 LMNA (0.35) LMNAMAPTCELCAMKK1CAMKK2
SCHEMBL8167370 0.69 LMNA (0.42) LMNAALDH1A1NPC1MAPTRAB9A
SCHEMBL14862769 0.69 CYP2A6 (0.35) LMNAALDH1A1
SCHEMBL3558293 0.69 GPR35 (0.36) ALDH1A1CEL
SCHEMBL4580554 0.68 ALDH1A1 (0.42) LMNAALDH1A1NPC1MAPTNFKB1
SCHEMBL13630799 0.67 KDM4E (0.36) LMNAALDH1A1MAPTRAB9AHPGD

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 9 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-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
CN-108473911-A Formylthiophenes and their use in flavour and fragrance compositions 国际香料和香精公司 2018-08-31 CN 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
WO-2000049012-A1 PROCESS FOR THE PRODUCTION OF CYCLOPENTYL 2-THIENYL KETONE GREAT LAKES CHEMICAL CORPORATION (US) 2000-08-24 WO disclosed
US-5969159-A Synthesis of cyclopentyl 2-thienyl ketone tiletamine and tiletamine acid addition salts such as tiletamine hydrochloride GREAT LAKES CHEMICAL CORPORATION (US) 1999-10-19 US disclosed