SCHEMBL11675296

SCHEMBL11675296

NOc1c(C(=O)O)cccc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.44
KMO O15229 1/20 0.42
ACMSD Q8TDX5 2/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CAMKK2 Q96RR4 4/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CAMKK1 Q8N5S9 2/20 0.36
PTGDR Q13258 3/20 0.35
ABCC1 P33527 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL28806264 0.85 PTGDR2 (0.44) PTGDR2KMOACMSDALOX5APFEN1
SCHEMBL10590612 0.84 PTGDR2 (0.43) PTGDR2KMOACMSDALOX5APFEN1
SCHEMBL4591641 0.80 APEX1 (0.43) NOTUMKDM4EMAPK1ALDH1A1HPGD
SCHEMBL3107052 0.80 G6PD (0.49) PTGDR2KMOACMSDALOX5APFEN1
SCHEMBL10790290 0.79 ACMSD (0.50) PTGDR2KMOACMSDCAMKK2KDM4E
SCHEMBL31011018 0.79 ACMSD (0.50) PTGDR2KMOACMSDCAMKK2KDM4E
SCHEMBL300805 0.79 ACMSD (0.50) PTGDR2KMOACMSDCAMKK2KDM4E
SCHEMBL10790137 0.79 ACMSD (0.50) PTGDR2KMOACMSDCAMKK2KDM4E
SCHEMBL9403931 0.79 ACMSD (0.50) PTGDR2KMOACMSDCAMKK2KDM4E
SCHEMBL50486 0.79 PTGDR2 (0.53) PTGDR2KMOACMSDCAMKK2CYP2C9

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-4036951-A SUNSCREEN AGENTS SYNERGISTICS, INC. (US) 1977-07-19 US disclosed