SCHEMBL21277331

SCHEMBL21277331

CCCSc1ccccc1C(=O)CCSc1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
HPGD P15428 2/20 0.36
RAB9A P51151 3/20 0.35
CYP1A2 P05177 2/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSD17B10 Q99714 3/20 0.34
MAPT P10636 2/20 0.34
ICMT O60725 1/20 0.34
GMNN O75496 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL7760109 0.84 PTGS2 (0.47) PTGS2HPGDKMT2ALMNATSHR
SCHEMBL8595709 0.75 PTGS2 (0.51) PTGS2HPGDRAB9AKMT2AL3MBTL1
SCHEMBL6765848 0.73 PTGS2 (0.51) PTGS2KMT2ALMNATSHRBLM
SCHEMBL26942233 0.73 PTGS2 (0.58) PTGS2HPGDRAB9ACYP1A2POLB
SCHEMBL6779779 0.73 CYP1A2 (0.62) PTGS2RAB9ACYP1A2POLBKMT2A
SCHEMBL11443812 0.72 PTGS2 (0.52) PTGS2KMT2ALMNABLMEPHX2
SCHEMBL9428564 0.72 PTGS2 (0.52) PTGS2KMT2ALMNABLMEPHX2
SCHEMBL11434977 0.72 PTGS2 (0.52) PTGS2KMT2ALMNABLMEPHX2
SCHEMBL7721146 0.72 PTGS2 (0.52) PTGS2KMT2ALMNABLMEPHX2
SCHEMBL9560125 0.72 PTGS2 (0.52) PTGS2KMT2ALMNABLMEPHX2

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-2251735-B1 Liquid crystal display device and manufacturing method therefor JAPAN DISPLAY INC (JP) 2019-08-21 EP disclosed