SCHEMBL23764692

SCHEMBL23764692

C=C(C(=O)CCCCCCC)C(=O)OCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NAAA Q02083 1/20 0.48
DGKA P23743 1/20 0.48
FAAH O00519 2/20 0.46
EPHX1 P07099 1/20 0.46
HTR2C P28335 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL22357283 0.88 TSHR (0.47) TSHRCES2CES1RAD52NPSR1
SCHEMBL8995706 0.87 FAAH (0.60) TSHRCES2CES1DGKAFAAH
SCHEMBL5402586 0.87 FAAH (0.60) TSHRCES2CES1DGKAFAAH
SCHEMBL31622790 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA
SCHEMBL31622794 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA
SCHEMBL31622795 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA
SCHEMBL6658710 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA
SCHEMBL6656457 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA
SCHEMBL31622788 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA
SCHEMBL5871868 0.87 TSHR (0.74) TSHRRAD52NPSR1NAAADGKA

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
EP-3865519-A1 RESIN COMPOSITION Namics Corporation (JP) 2021-08-18 EP disclosed