SCHEMBL9507774

SCHEMBL9507774

CCOC(C=O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
FFAR3 O14843 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 3/20 0.33
GPR84 Q9NQS5 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL10879242 0.77 MEN1 (0.38) SLC22A6TDP1FFAR1GPR84ALOX15
SCHEMBL10551880 0.77 MEN1 (0.40) SLC22A6TDP1FFAR1GPR84ALOX15
SCHEMBL10768199 0.76
SCHEMBL3168705 0.76
SCHEMBL3074157 0.75 SLC22A6 (0.41) PGDSLC22A6TDP1SMN1; SMN2ALOX15
SCHEMBL3880423 0.75
Acetaldehyde SCHEMBL11125462 0.74 MMP1 (0.34) PGDSLC22A6FFAR3TDP1FFAR1
SCHEMBL202165 0.73 SLC22A6 (0.39) PGDSLC22A6FFAR3TDP1FFAR1
SCHEMBL10742171 0.73
Water SCHEMBL28275948 0.73 GPR84 (0.42) TDP1GPR84ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181244-B1 Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors Xuanzhu Pharma Co., Ltd. (CN) 2015-11-10 US disclosed
EP-0241423-B1 PROCESS FOR THE PRODUCTION OF POSITIVE IMAGES CIBA-GEIGY AG (CH) 1993-09-15 EP disclosed
EP-0241423-A2 Process for the production of positive images CIBA-GEIGY AG (CH) 1987-10-14 EP disclosed