SCHEMBL11095059

SCHEMBL11095059

Nc1c(CC(=O)O)cccc1Oc1cccc(CC(=O)O)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.56
ABCB11 O95342 1/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
ADORA1 P30542 1/20 0.49
PTGS2 P35354 1/20 0.49
CHRM1 P11229 1/20 0.49
AKR1B1 P15121 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
CAMK2A Q9UQM7 3/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
CFD P00746 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
F11 P03951 1/20 0.43
KLKB1 P03952 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
SCHEMBL11481740 0.90 CAMK2A (0.55) CXCL8ABCB11LMNAPTGS1ADORA1
SCHEMBL11092450 0.89 CXCL8 (0.50) CXCL8ABCB11LMNAPTGS1ADORA1
SCHEMBL11092305 0.89 CXCL8 (0.75) CXCL8ABCB11LMNAPTGS1ADORA1
SCHEMBL11084311 0.89 CXCL8 (0.75) CXCL8ABCB11PTGS1PTGS2CHRM1
SCHEMBL11089469 0.88 CXCL8 (0.60) CXCL8ABCB11LMNAPTGS1ADORA1
SCHEMBL11094218 0.88 TDP1 (0.59) CXCL8CHRM1AKR1B1TDP1HPGD
SCHEMBL16397224 0.86 HSD17B10 (0.50) CXCL8ABCB11LMNAPTGS1ADORA1
SCHEMBL22654316 0.85 LMNA (0.57) CXCL8ABCB11LMNAPTGS1ADORA1
SCHEMBL11089474 0.84 CHRM1 (0.76) CXCL8LMNACHRM1TDP1CYP2C9
SCHEMBL7583347 0.84 AKR1B1 (0.58) CXCL8ABCB11LMNAPTGS1ADORA1

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed