SCHEMBL19475146

SCHEMBL19475146

COCOc1ccccc1C(=O)N1CCCC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GYS1 P13807 1/20 0.45
TP53 P04637 1/20 0.45
DGAT1 O75907 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA5 P08648 1/20 0.44
ITGA4 P13612 1/20 0.44
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL19475145 1.00 MEN1 (0.53) MEN1TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL19475012 0.96 MEN1 (0.58) MEN1TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL19475014 0.96 MEN1 (0.58) MEN1TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL19505771 0.89 TSHR (0.52) MEN1TSHRKMT2AALDH1A1TP53
SCHEMBL19505982 0.86 TSHR (0.57) MEN1TSHRKMT2AALDH1A1TP53
SCHEMBL3855387 0.81 ALDH1A1 (0.54) MEN1TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL11640739 0.81 ALDH1A1 (0.54) MEN1TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL7393837 0.81 ALDH1A1 (0.60) MEN1TSHRKMT2AALDH1A1L3MBTL1
SCHEMBL15743802 0.78 MEN1 (0.68) MEN1TSHRKMT2AALDH1A1NPSR1
SCHEMBL20858858 0.78 ITGB1 (0.67) KMT2AALDH1A1L3MBTL1SMN1; SMN2NPSR1

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
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 WO disclosed