SCHEMBL11063302

SCHEMBL11063302

O=S(=O)(O)c1ccc2ccccc2c1O.[CaH2]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.62
MPL P40238 4/20 0.51
CTRC Q99895 2/20 0.51
PTPN22 Q9Y2R2 1/20 0.50
LDHA P00338 1/20 0.47
ERN1 O75460 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP1A2 P05177 2/20 0.44
CHEK1 O14757 1/20 0.42
CDK8 P49336 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HCRTR1 O43613 1/20 0.41

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
Hydrochloric Acid SCHEMBL27766336 0.98 CTRB1 (0.64) CTRB1MPLCTRCPTPN22LDHA
SCHEMBL88069 0.98 CTRB1 (0.64) CTRB1MPLCTRCPTPN22LDHA
SCHEMBL30383446 0.98 CTRB1 (0.64) CTRB1MPLCTRCPTPN22LDHA
SCHEMBL7158072 0.96 CTRB1 (0.62) CTRB1MPLCTRCPTPN22LDHA
SCHEMBL1819743 0.96 CTRB1 (0.62) CTRB1MPLCTRCPTPN22LDHA
Ammonia Solution, Strong SCHEMBL27594855 0.96 CTRB1 (0.62) CTRB1MPLCTRCPTPN22LDHA
Potassium SCHEMBL2292044 0.96 CTRB1 (0.62) CTRB1MPLCTRCPTPN22LDHA
Ammonia Solution, Strong SCHEMBL7758965 0.96 CTRB1 (0.62) CTRB1MPLCTRCPTPN22LDHA
SCHEMBL7194110 0.96 CTRB1 (0.62) CTRB1MPLCTRCPTPN22LDHA
Formaldehyde SCHEMBL9766875 0.94 CTRB1 (0.60) CTRB1MPLCTRCPTPN22LDHA

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
JP-59227300-A None JP disclosed
JP-S59227300-A CONDENSATION REACTION AMANO PHARMACEUT CO LTD 1984-12-20 JP disclosed