SCHEMBL28655438

SCHEMBL28655438

CCCCCCCCCCC[C@H](N)CC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.49
S1PR2 O95136 6/20 0.47
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR4 O95977 4/20 0.47
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
BIRC2 Q13490 1/20 0.44
GPR84 Q9NQS5 4/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
LAP3 P28838 1/20 0.43
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42

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
SCHEMBL28932447 1.00 ZDHHC7 (0.49) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL3889832 1.00 ZDHHC7 (0.49) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL10382953 1.00 ZDHHC7 (0.49) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL28655439 1.00 ZDHHC7 (0.49) ZDHHC7S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL11833258 0.98 ZDHHC7 (0.47) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL15775039 0.98 ZDHHC7 (0.46) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL8170345 0.92 CA1 (0.46) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL3645913 0.92 CA1 (0.46) ZDHHC7S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL3645912 0.91 CA1 (0.44) ZDHHC7S1PR2S1PR1S1PR3S1PR4
SCHEMBL11833333 0.91 TP53 (0.45) ZDHHC7S1PR2S1PR1S1PR3S1PR4

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-113774033-B Artificial biocatalyst for converting fatty acid into beta-hydroxy fatty acid 合肥生融生物科技有限公司 2023-10-24 CN disclosed
CN-113774033-A Artificial biocatalyst for converting fatty acid into beta-hydroxy fatty acid 合肥生融生物科技有限公司 2021-12-10 CN disclosed