SCHEMBL5832097

SCHEMBL5832097

CCCCCCCCCCCCCCOCCc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GAPDH P04406 1/20 0.38
ALOX15 P16050 1/20 0.38
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 0.38
PTPN7 P35236 1/20 0.38

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
SCHEMBL28429032 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL3794914 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL5831640 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL5831343 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL3800939 1.00 ALDH1A1 (0.51) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL27644613 0.93 ALDH1A1 (0.51) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL3795171 0.92 ALDH1A1 (0.56) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL23014757 0.87 TSHR (0.48) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL23014832 0.87 TSHR (0.48) ALDH1A1TSHRTAAR1MAPTNPC1
SCHEMBL12064579 0.86 TAAR1 (0.48) ALDH1A1TSHRTAAR1MAPTNPC1

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-2006084088-A1 CONJUGATED POLYMER FIBER, PREPARATION AND USE THEREOF UNIVERSITY OF CONNECTICUT (US) 2006-08-10 WO disclosed