SCHEMBL26046394

SCHEMBL26046394

CC(=O)CCc1ccccc1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.61
CYP4A11 Q02928 2/20 0.61
IAPP P10997 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.41
APOBEC3G Q9HC16 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
IKBKB O14920 1/20 0.38
FFAR1 O14842 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL14434948 0.85 IAPP (0.58) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL269353 0.83 IAPP (0.72) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL29934495 0.83 IAPP (0.72) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL3728799 0.81 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2MAPTFFAR1
SCHEMBL6296852 0.80 CYP4F2 (0.57) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL29843018 0.79 IAPP (0.56) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL1404957 0.79 IAPP (0.56) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL12225988 0.79 PTGER4 (0.58) IAPPALDH1A1LMNAMAPTIKBKB
SCHEMBL8702883 0.79 ALDH1A1 (0.56) CYP4F2CYP4A11IAPPALDH1A1LMNA
SCHEMBL22526147 0.79 ALDH1A1 (0.51) CYP4F2CYP4A11IAPPALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed