SCHEMBL28227233

SCHEMBL28227233

C=CCc1ccc2ccc(S(=O)(=O)O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ CNR2 P34972 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ GABRB2 P47870 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH2 P05091 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CASP6 P55212 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL28227154 0.95 XDH (0.44) XDHALDH1A1CNR2MAPTPPARG
SCHEMBL87584 0.81 TDP1 (0.55) XDHALDH1A1CNR2MAPTPPARG
SCHEMBL7555913 0.80 XDH (0.56) XDHALDH1A1CNR2MAPTPPARG
SCHEMBL28425011 0.80 ALDH1A1 (0.46) ALDH1A1CASP6HSD17B10CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL6669195 0.79 TDP1 (0.53) XDHALDH1A1CNR2MAPTPPARG
SCHEMBL4132583 0.79 TDP1 (0.53) XDHALDH1A1CNR2MAPTPPARG
SCHEMBL29574227 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCASP6HSD17B10
SCHEMBL29381755 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCASP6HSD17B10
SCHEMBL822307 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDCASP6HSD17B10
SCHEMBL460668 0.78 ALDH1A1 (0.47) XDHALDH1A1CNR2MAPTPPARG

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-108293284-A The luminescent layer ionic compound of electrochemical luminescence unit, the luminescent layer formation composition of electrochemical luminescence unit and electrochemical luminescence unit 日本化学工业株式会社 2018-07-17 — — CN disclosed
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