SCHEMBL9613754

SCHEMBL9613754

CCCc1ccc2c(OCCC(NC)(OC(=O)CC(O)(CC(=O)O)C(=O)O)c3ccccc3OC)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 10/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.33
DHODH Q02127 1/20 0.33
HTR1B P28222 1/20 0.32
ADRB2 P07550 3/20 0.32
NCEH1 Q6PIU2 1/20 0.31

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
SCHEMBL10484293 0.89 SLC13A5 (0.39) SLC13A5KDM4ELMNAPDE10A
Citric Acid SCHEMBL9613733 0.79 SLC13A5 (0.40) SLC13A5KDM4ELMNAPDE10ADHODH
Citric Acid SCHEMBL10484280 0.71 SLC13A5 (0.39) SLC13A5KDM4ELMNAPDE10A
SCHEMBL10484411 0.68 SLC13A5 (0.53) SLC13A5KDM4ELMNA
SCHEMBL9613838 0.67 SLC13A5 (0.41) SLC13A5KDM4ELMNA
SCHEMBL9291814 0.65 PPARG (0.41) HTR1BADRB2
Citric Acid SCHEMBL3986 0.64 SLC6A4 (0.43) SLC13A5
SCHEMBL9614062 0.63 ALDH1A1 (0.50) KDM4EHTR1B
SCHEMBL14613949 0.62 NCEH1 (0.42) HTR1BNCEH1
Citric Acid SCHEMBL28294783 0.62 LMNA (0.67) SLC13A5KDM4ELMNA

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-5135947-A Treatment of depression, eating disorders, and alcoholism ELI LILLY AND COMPANY (US) 1992-08-04 US disclosed
EP-0288188-B1 1-PHENYL-3-NAPHTHALENYLOXY-PROPANAMINES ELI LILLY AND COMPANY (US) 1991-10-16 EP disclosed