SCHEMBL1725422

SCHEMBL1725422

CCCC[S+]([O-])c1cccc(C(=O)CCNC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NAAA Q02083 1/20 0.37
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HSD17B3 P37058 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1722159 0.85 NQO2 (0.39) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL1710775 0.84 HSD17B3 (0.39) SMN1; SMN2CES2CES1THRATHRB
SCHEMBL1722558 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL2151087 0.74 HDAC11 (0.49) SMN1; SMN2NAAAALDH1A1MAPTGAA
SCHEMBL1710650 0.73 KMT2A (0.45) SMN1; SMN2L3MBTL1THRATHRBALDH1A1
SCHEMBL2150676 0.73 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL2151211 0.71 THRA (0.46) SMN1; SMN2LMNATHRAALDH1A1GAA
SCHEMBL22982704 0.69 MAPT (0.58) SMN1; SMN2CES1L3MBTL1LMNAALDH1A1
SCHEMBL16031988 0.69 TP53BP1 (0.46) L3MBTL1LMNAALDH1A1MAPT
SCHEMBL1724523 0.69 GPR88 (0.36) L3MBTL1ALDH1A1MAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed