SCHEMBL28154652

SCHEMBL28154652

O=S(=O)(O)[CH]CC(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.48
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10944451 0.83 SRC (0.50) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL982815 0.81 CYP2C19 (0.58) SRCALDH1A1CYP2C19CYP2D6LMNA
Ammonia Solution, Strong SCHEMBL1594791 0.80 CYP2C19 (0.56) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL27504829 0.80 CYP2C19 (0.56) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL14955046 0.78 SRC (0.57) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL14955287 0.78 SRC (0.57) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL5159231 0.76 SRC (0.55) SRCALDH1A1CYP2C19CYP2D6LMNA
Succinic Acid SCHEMBL27674622 0.75 CYP2C19 (0.54) SRCALDH1A1CYP2C19CYP2D6CYP1A2
SCHEMBL1003234 0.75 SRC (0.53) SRCALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL1663424 0.75 SRC (0.53) SRCALDH1A1CYP2C19CYP2D6LMNA

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
CN-105254539-B P-aminobenzoic acid derivative and combinations thereof and purposes 广州英赛特生物技术有限公司 2017-06-06 CN disclosed