SCHEMBL23370809

SCHEMBL23370809

CCCCC[C@@H](C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.62
LTA4H P09960 5/20 0.59
CYP3A4 P08684 5/20 0.58
CYP2C8 P10632 5/20 0.58
CYP2C9 P11712 5/20 0.58
CYP2B6 P20813 5/20 0.58
CYP2C19 P33261 5/20 0.58
CYP1A2 P05177 4/20 0.58
TRPV1 Q8NER1 4/20 0.58
CYP2D6 P10635 3/20 0.57
CYP2A6 P11509 3/20 0.57
CYP2E1 P05181 2/20 0.57
ALOX5 P09917 1/20 0.52
ADRB2 P07550 1/20 0.50

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
SCHEMBL23370749 1.00 HTR1A (0.62) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL8236669 1.00 HTR1A (0.62) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL30065179 1.00 HTR1A (0.62) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL23370862 0.99 HTR1A (0.64) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL23370864 0.99 HTR1A (0.64) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL23370853 0.99 HTR1A (0.64) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL23370854 0.99 HTR1A (0.64) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL30555818 0.92 HTR1A (0.68) HTR1ALTA4HCYP3A4CYP2C8CYP2C9
SCHEMBL8231014 0.92 ADRB2 (0.58) HTR1AALOX5ADRB2
SCHEMBL30515451 0.91 LTA4H (0.67) HTR1ALTA4HCYP3A4CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021094268-A1 GINGEROL COMPOUNDS AND THEIR USE AS FLAVOR MODIFIERS FIRMENICH SA (CH) 2021-05-20 WO disclosed