SCHEMBL23779802

SCHEMBL23779802

CCCCOc1cccc(/C=C/CCc2ccc(C)cc2CC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.46
TLR2 O60603 2/20 0.46
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
ALOX5 P09917 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL23779803 1.00 TLR4 (0.46) TLR4TLR2MAOAMAOBDRD2
SCHEMBL23779782 0.84 TLR4 (0.45) TLR4TLR2MAOAMAOBPPARG
SCHEMBL23779783 0.84 TLR4 (0.45) TLR4TLR2MAOAMAOBPPARG
SCHEMBL23779766 0.81 TLR4 (0.50) TLR4TLR2MAOAMAOBPPARG
SCHEMBL23779768 0.81 TLR4 (0.50) TLR4TLR2MAOAMAOBPPARG
SCHEMBL23779777 0.73 TLR4 (0.59) TLR4TLR2PPARAAHRCHRNA7
SCHEMBL23779779 0.73 TLR4 (0.59) TLR4TLR2PPARAAHRCHRNA7
SCHEMBL23779767 0.72 TLR4 (0.58) TLR4TLR2PPARAAHRCHRNA7
SCHEMBL31336283 0.72 TLR4 (0.58) TLR4TLR2PPARAAHRCHRNA7
SCHEMBL27301217 0.71 TLR4 (0.56) TLR4TLR2AHRNPSR1CHRNA7

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
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
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