SCHEMBL28190024

SCHEMBL28190024

C=CC(=O)OC(=O)CCCCCCCCCCC(=O)O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 7/20 0.46
LMNA P02545 4/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 1/20 0.41
GPR84 Q9NQS5 5/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL3347194 0.98 ABCC4 (0.50) ABCC4MAPTTSHRLMNANFKB1
SCHEMBL3293977 0.96 ABCC4 (0.47) ABCC4MAPTTSHRLMNANFKB1
SCHEMBL588940 0.94 TSHR (0.47) ABCC4MAPTTSHRLMNANFKB1
SCHEMBL588137 0.92 TSHR (0.48) ABCC4MAPTTSHRLMNANFKB1
Ammonia Solution, Strong SCHEMBL589022 0.90 TSHR (0.47) ABCC4MAPTTSHRLMNANFKB1
SCHEMBL588848 0.90 TSHR (0.47) ABCC4MAPTTSHRLMNANFKB1
SCHEMBL588709 0.90 TSHR (0.47) ABCC4MAPTTSHRLMNANFKB1
SCHEMBL2776924 0.90 TSHR (0.48) ABCC4MAPTTSHRLMNAALDH1A1
SCHEMBL28495861 0.88 TSHR (0.44) ABCC4MAPTTSHRLMNAALDH1A1
SCHEMBL181453 0.84 LMNA (0.41) ABCC4MAPTTSHRLMNANFKB1

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed