SCHEMBL28190027

SCHEMBL28190027

C=CC(=O)OC(C)CCCCCC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 5/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
GPR84 Q9NQS5 4/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 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
SCHEMBL28190031 1.00 TSHR (0.37) TSHRALDH1A1CYP3A4USP2HPGD
SCHEMBL28190621 0.98 TSHR (0.38) TSHRALDH1A1CYP3A4USP2HPGD
SCHEMBL31190099 0.88 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL6557557 0.88 TSHR (0.45) TSHRALDH1A1CYP3A4USP2HPGD
SCHEMBL19456974 0.88 TSHR (0.45) TSHRALDH1A1CYP3A4USP2HPGD
SCHEMBL10951894 0.85 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL10947959 0.85 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL4896158 0.83 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL10950280 0.83 TSHR (0.41) TSHRALDH1A1CYP3A4USP2HPGD
SCHEMBL28597918 0.83 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDSMN1; SMN2

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