SCHEMBL30801432

SCHEMBL30801432

CCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCC

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.72
NAAA Q02083 1/20 0.72
DGKA P23743 1/20 0.72
RAD52 P43351 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
PRSS3 P35030 1/20 0.59
FAAH O00519 1/20 0.58
DNM1 Q05193 1/20 0.58
EPHX1 P07099 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 3/20 0.53
PAM P19021 2/20 0.53

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
SCHEMBL27717541 1.00 HTR2C (0.72) HTR2CNAAADGKARAD52NPSR1
SCHEMBL27924221 1.00 HTR2C (0.72) HTR2CNAAADGKARAD52NPSR1
SCHEMBL27439166 0.98 HTR2C (0.70) HTR2CNAAADGKARAD52NPSR1
SCHEMBL11686884 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1
SCHEMBL18929524 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1
SCHEMBL68472 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1
SCHEMBL18995 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1
SCHEMBL886889 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1
SCHEMBL333336 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1
SCHEMBL54522 0.98 NAAA (0.75) HTR2CNAAADGKARAD52NPSR1

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
US-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 US disclosed