SCHEMBL29025792

SCHEMBL29025792

CCCCCCCCCCCCCCCCNCCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
SOAT1 P35610 2/20 0.52
MEN1 O00255 1/20 0.52
FAAH O00519 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
S1PR2 O95136 5/20 0.50
S1PR4 O95977 5/20 0.50
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR5 Q9H228 1/20 0.50
CASP2 P42575 1/20 0.48
EPHX1 P07099 5/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL8170763 1.00 ALDH1A1 (0.54) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL8519620 1.00 ALDH1A1 (0.54) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL28356564 1.00 ALDH1A1 (0.54) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL29113797 1.00 ALDH1A1 (0.54) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL7765758 0.98 ALDH1A1 (0.56) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL31614704 0.96 ALDH1A1 (0.50) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL25185288 0.94 SOAT1 (0.59) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL28888916 0.94 SOAT1 (0.59) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL28375298 0.94 SOAT1 (0.59) ALDH1A1TSHRSOAT1MEN1FAAH
SCHEMBL16620178 0.94 SOAT1 (0.59) ALDH1A1TSHRSOAT1MEN1FAAH

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-116333714-B Boric acid crosslinked thickener 烟台大学 2024-07-12 CN disclosed
CN-116333714-A Boric acid crosslinked thickener 烟台大学 2023-06-27 CN disclosed