SCHEMBL1821345

SCHEMBL1821345

CCC(C(=O)O)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
DHODH Q02127 1/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
HSD11B1 P28845 1/20 0.40
HSD17B3 P37058 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADAMTS4 O75173 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL1825878 0.92 LMNA (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2831657 0.88 SMN1; SMN2 (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1822253 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL1825108 0.81 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3721273 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1822285 0.81 ALDH1A1 (0.47) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2834181 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29889833 0.80 POLB (0.53) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1999919 0.80 POLB (0.53) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2835444 0.79 LMNA (0.46) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed