SCHEMBL9360403

SCHEMBL9360403

CCCC(N(CC)c1cccc(C)c1)S(=O)(=O)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
POLB P06746 3/20 0.38
HCRTR2 O43614 1/20 0.38
NPC1 O15118 2/20 0.37
GPX4 P36969 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
GLA P06280 2/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9081406 0.99 TP53 (0.46) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL6845542 0.89 TP53 (0.47) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL186732 0.87 TP53 (0.48) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL11350458 0.85 TP53 (0.46) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL1592204 0.85 GLA (0.41) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL10658414 0.82 TP53 (0.49) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL9314947 0.80 TP53 (0.49) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL8388252 0.79 TP53 (0.48) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL11748273 0.77 TP53 (0.42) TP53MAPTALDH1A1HPGDHSD17B10
SCHEMBL7959682 0.77 MAPT (0.46) TP53MAPTALDH1A1HPGDHSD17B10

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-0383922-B1 METHOD FOR MEASURING DEGREE OF FRESHNESS AND MEASURING KIT FOR THE METHOD DAIICHI PURE CHEMICALS CO LTD (JP) 1994-11-09 EP disclosed
EP-0383922-A1 METHOD FOR MEASURING DEGREE OF FRESHNESS AND MEASURING KIT FOR THE METHOD DAIICHI PURE CHEMICALS CO., LTD. (JP) 1990-08-29 EP disclosed