SCHEMBL13738214

SCHEMBL13738214

COC(=O)c1cc2c(C#Cc3ccccc3C(F)(F)F)c(-c3ccccc3C(F)(F)F)n(C)c2cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN11 Q06124 5/20 0.36
RORC P51449 1/20 0.36
LDHA P00338 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
SDHB P21912 1/20 0.33
RECQL P46063 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
CFTR P13569 2/20 0.32
FFAR1 O14842 1/20 0.32
NR4A2 P43354 1/20 0.32
NR3C2 P08235 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL13738533 0.90 PTPN11 (0.42) PTPN11
SCHEMBL13737903 0.88 L3MBTL1 (0.42) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL13736534 0.88 L3MBTL1 (0.44) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL13735852 0.87 PTPN22 (0.45) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL13736229 0.86 L3MBTL1 (0.44) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL15829196 0.83 PTPN11 (0.41) PTPN11
SCHEMBL13738088 0.82 PTPN11 (0.48) PTPN11LDHA
SCHEMBL13739517 0.79 PTPN22 (0.54) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL13738188 0.78 PTPN11 (0.44) ALDH1A1GLAHPGDTDP1L3MBTL1
SCHEMBL13738019 0.78 PTPN11 (0.48) ALDH1A1GLAHPGDTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103561573-A Tyrosine phosphatases and their use in modulating the activity of enzymes involved in the pathology of Mycobacterium tuberculosis UNIV INDIANA RES & TECH CORP 2014-02-05 CN disclosed
WO-2012149048-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF LYP INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-01 WO disclosed
WO-2012149049-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMES INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-11-01 WO disclosed