SCHEMBL27484653

SCHEMBL27484653

CCCc1cccc(N)c1CCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR3 Q99500 1/20 0.38
ELANE P08246 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CTSG P08311 1/20 0.33
DAO P14920 1/20 0.32
TTR P02766 1/20 0.32
TLR8 Q9NR97 1/20 0.32
APP P05067 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PARP1 P09874 1/20 0.30
BID P55957 3/20 0.30
MCL1 Q07820 3/20 0.30
BCL2L1 Q07817 2/20 0.30
BAK1 Q16611 2/20 0.30

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
SCHEMBL11037516 0.81 TTR (0.37) S1PR1S1PR2S1PR3TTRALDH1A1
SCHEMBL6812392 0.80 S1PR1 (0.42) S1PR1S1PR2S1PR3APPGABRA1
SCHEMBL411734 0.79 NOS2 (0.37) LTB4RLTB4R2DAOGABRA1GABRB2
Ammonia Solution, Strong SCHEMBL27657593 0.77 NOS2 (0.36) LTB4RLTB4R2DAOGABRA1GABRB2
SCHEMBL7693285 0.77 APP (0.43) S1PR1S1PR2S1PR3APPALDH1A1
SCHEMBL4940219 0.77 CD44 (0.37) S1PR1S1PR2S1PR3TTRAPP
SCHEMBL6742162 0.77 ALDH1A1 (0.41) ELANECTSGALDH1A1MCL1
SCHEMBL28753454 0.76 MGLL (0.38) S1PR1S1PR2S1PR3TTRAPP
SCHEMBL11285123 0.76 MGLL (0.40) S1PR1S1PR2S1PR3TTRAPP
SCHEMBL1257433 0.76 ALDH1A1 (0.36) S1PR1S1PR2S1PR3TTRAPP

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
CN-1168988-C Reagent test strip for blood glucose determination ����ɨ�����޹�˾ 2004-09-29 CN disclosed
CN-1171553-A Reagent test strip for blood glucose determination LIFESCAN INC (US) 1998-01-28 CN disclosed