SCHEMBL4761815

SCHEMBL4761815

CCCc1ccc(CC)cc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HIF1A Q16665 2/20 0.42
XBP1 P17861 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
AKT1 P31749 1/20 0.41
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRC P12931 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL510145 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL31254084 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL11791277 0.83 TRPA1 (0.41) ALDH1A1MAPTLMNAHIF1AXBP1
SCHEMBL14093025 0.80 TRPA1 (0.55) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL3692519 0.79 NPSR1 (0.50) ALDH1A1HSD17B10LMNAPPARGPPARA
SCHEMBL11209139 0.79 RXRA (0.50) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL17424894 0.79 SMN1; SMN2 (0.45) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL4763467 0.78 VDR (0.44) MAPTLMNAHIF1AXBP1PPARG
SCHEMBL6208833 0.78 CYP4Z1 (0.43) ALDH1A1HPGDMAPTAKT1KDM4E
SCHEMBL6559232 0.77 HPGD (0.61) ALDH1A1HSD17B10HPGDMAPTLMNA

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
JP-2008266154-A CARBOXYLATES DERIVED FROM 5-ETHYL-2-PROPYLBENZYL ALCOHOL, AND METHOD FOR PRODUCING THE SAME CHISSO CORP 2008-11-06 JP disclosed