SCHEMBL28359092

SCHEMBL28359092

CCCCCCOc1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.57
S1PR3 Q99500 1/20 0.57
PTPN1 P18031 2/20 0.53
PTPN6 P29350 1/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL28214627 0.88 PTPN11 (0.54) PTPN11S1PR3PTPN1PTPN6ALDH1A1
SCHEMBL1747598 0.88 PTPN11 (0.53) PTPN11S1PR3PTPN1PTPN6MEN1
SCHEMBL27558746 0.87 PTPN11 (0.56) PTPN11S1PR3PTPN1PTPN6ALDH1A1
SCHEMBL27579133 0.87 PTPN11 (0.56) PTPN11S1PR3PTPN1PTPN6ALDH1A1
SCHEMBL28214715 0.86 LMNA (0.60) PTPN11S1PR3PTPN1ALDH1A1TSHR
SCHEMBL9153749 0.86 LMNA (0.60) PTPN11S1PR3PTPN1ALDH1A1TSHR
SCHEMBL5722029 0.86 LMNA (0.60) PTPN11S1PR3PTPN1ALDH1A1TSHR
SCHEMBL8461191 0.85 PTPN11 (0.52) PTPN11S1PR3PTPN1PTPN6ALDH1A1
SCHEMBL8085939 0.84 MEN1 (0.57) PTPN11S1PR3PTPN1MEN1NR1I2
SCHEMBL8462893 0.84 PTPN11 (0.51) PTPN11S1PR3PTPN1PTPN6ALDH1A1

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-105979977-B Support frame 牛津大学科技创新有限公司 2020-03-10 CN disclosed