SCHEMBL2148366

SCHEMBL2148366

CCCC(=O)C(O)Cc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
HSD17B3 P37058 1/20 0.47
ESR1 P03372 5/20 0.46
ESR2 Q92731 5/20 0.46
SLC7A5 Q01650 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
TRPV1 Q8NER1 2/20 0.43
CHRND Q07001 5/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41

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
SCHEMBL107523 0.85 ESR1 (0.49) SLC6A2ESR1ESR2SLC7A5TAAR1
SCHEMBL28006616 0.85 HCAR1 (0.43) SLC6A2HSD17B3ESR1ESR2SLC7A5
SCHEMBL6121990 0.84 CYP1A2 (0.47) SLC7A5
SCHEMBL28006944 0.81 MEN1 (0.40) SLC6A2HSD17B3
SCHEMBL450960 0.79 SLC6A2 (0.56) SLC6A2ESR1ESR2SLC7A5TAAR1
SCHEMBL107420 0.79 TAAR1 (0.48) SLC6A2ESR1ESR2SLC7A5TAAR1
SCHEMBL19369763 0.77 ESR1 (0.61) SLC6A2ESR1ESR2SLC7A5TAAR1
SCHEMBL107776 0.77 ESR1 (0.61) SLC6A2ESR1ESR2SLC7A5TAAR1
SCHEMBL29339462 0.77 CHRND (0.49) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL30462512 0.77 LMNA (0.49)

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-2011081658-A2 METHODS AND COMPOSITIONS FOR PRODUCING CHEMICAL PRODUCTS FROM C. PHYTOFERMENTANTS QTEROS, INC. (US) 2011-07-07 WO disclosed