SCHEMBL23779783

SCHEMBL23779783

CCCCOc1cccc(C=CCCc2ccc(CC(C)C)cc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.45
TLR2 O60603 2/20 0.45
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
PPARG P37231 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 1/20 0.33

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
SCHEMBL23779782 1.00 TLR4 (0.45) TLR4TLR2PPARAPPARDPPARG
SCHEMBL23779766 0.87 TLR4 (0.50) TLR4TLR2PPARAPPARDPPARG
SCHEMBL23779768 0.87 TLR4 (0.50) TLR4TLR2PPARAPPARDPPARG
SCHEMBL23779803 0.84 TLR4 (0.46) TLR4TLR2PPARAPPARGMAOA
SCHEMBL23779802 0.84 TLR4 (0.46) TLR4TLR2PPARAPPARGMAOA
SCHEMBL17748801 0.78 TUBB1 (0.40) AHR
SCHEMBL17748803 0.78 TUBB1 (0.40) AHR
SCHEMBL23779774 0.74 TLR4 (0.50) TLR4TLR2PPARAPPARGMAOA
SCHEMBL23779775 0.74 TLR4 (0.50) TLR4TLR2PPARAPPARGMAOA
SCHEMBL19491867 0.74 TUBB1 (0.39) AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018228-B2 Alkoxybenzaldehyde derivatives and precursors thereof GIVAUDAN SA (CH) 2024-06-25 US claimed
US-20220002634-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF GIVAUDAN SA (CH) 2022-01-06 US claimed
EP-3873880-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF Givaudan SA (CH) 2021-09-08 EP claimed
CN-112930335-A Alkoxybenzaldehyde derivative and precursor thereof 奇华顿股份有限公司 2021-06-08 CN claimed
US-12018228-B2 Alkoxybenzaldehyde derivatives and precursors thereof GIVAUDAN SA (CH) 2024-06-25 US disclosed
US-20220002634-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF GIVAUDAN SA (CH) 2022-01-06 US disclosed
EP-3873880-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF Givaudan SA (CH) 2021-09-08 EP disclosed
CN-112930335-A Alkoxybenzaldehyde derivative and precursor thereof 奇华顿股份有限公司 2021-06-08 CN disclosed