SCHEMBL19475014

SCHEMBL19475014

COCOc1ccccc1C(=O)N1CCCCC1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HCRTR2 O43614 1/20 0.42
DGAT1 O75907 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
SCHEMBL19475012 1.00 MEN1 (0.58) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19475146 0.96 MEN1 (0.53) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19475145 0.96 MEN1 (0.53) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19505982 0.90 TSHR (0.57) MEN1TSHRKMT2ATP53ALDH1A1
SCHEMBL19505771 0.86 TSHR (0.52) MEN1TSHRKMT2ATP53ALDH1A1
SCHEMBL3855387 0.78 ALDH1A1 (0.54) MEN1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11640739 0.78 ALDH1A1 (0.54) MEN1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7393837 0.78 ALDH1A1 (0.60) MEN1TSHRKMT2ATP53SMN1; SMN2
SCHEMBL19474982 0.76 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19474983 0.76 ALDH1A1 (0.50) TSHRSMN1; SMN2ALDH1A1L3MBTL1

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