SCHEMBL28801780

SCHEMBL28801780

O=S(=O)(O)CCCCNc1cccc(CO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
ALDH1A1 P00352 4/20 0.45
IKBKB O14920 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
SYK P43405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CNR2 P34972 1/20 0.36
MGLL Q99685 1/20 0.36
PTPN1 P18031 1/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL5779280 0.82 MGLL (0.44) HTR7ALDH1A1MGLLPTPN1MAPT
SCHEMBL11514579 0.80 DDX3X (0.45) ALDH1A1HDAC1HDAC8HDAC6MAPT
SCHEMBL4940220 0.80 MAPT (0.61) ALDH1A1HDAC1HDAC8HDAC6MAPT
SCHEMBL8969909 0.79 MAPT (0.59) ALDH1A1HDAC1HDAC8HDAC6MAPT
SCHEMBL1257436 0.79 MAPT (0.59) ALDH1A1HDAC1MAPTMAPK1L3MBTL1
SCHEMBL1607864 0.79 ALDH1A1 (0.59) ALDH1A1HDAC1HDAC6MAPTLMNA
SCHEMBL11475109 0.78 HTR7 (0.49) HTR7ALDH1A1HDAC6MGLLMAPT
SCHEMBL10795105 0.78 MEN1 (0.46) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL5004348 0.78 HTR7 (0.52) HTR7ALDH1A1IKBKBPDK1PDK2
SCHEMBL1607516 0.77 ALDH1A1 (0.57) ALDH1A1HDAC1HDAC6MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563536-B Determination of Lp-PLA2 Activity 旭化成制药株式会社 2022-08-02 CN disclosed