SCHEMBL20650528

SCHEMBL20650528

IN(c1ccccc1C1CCCCC1)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.31
PTGS2 P35354 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL20649862 0.91 KDM4E (0.31)
SCHEMBL20649865 0.91 LMNA (0.34)
SCHEMBL20650527 0.91 PTGDR2 (0.32) PTGDR2HTR1AHTR7
SCHEMBL20650749 0.90 KDM4E (0.31) PTGS2
SCHEMBL20650290 0.89 GPR3 (0.33)
SCHEMBL20649863 0.88 HTR2C (0.36) HTR1A
SCHEMBL20649866 0.88 PDCD1 (0.32)
SCHEMBL20649861 0.88 HTR1D (0.31) PTGDR2PTGS2
SCHEMBL20649872 0.88
SCHEMBL20649765 0.86 PTGS2 (0.31) PTGS2

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
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed