SCHEMBL29176807

SCHEMBL29176807

O=P(c1ccccc1)(c1cccc(S(=O)(=O)O)c1)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SNCA P37840 1/20 0.47
▸ CASP6 P55212 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ DUSP3 P51452 2/20 0.41
▸ PTPN5 P54829 2/20 0.41
▸ PTPN11 Q06124 2/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL2928727 1.00 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL1502178 0.98 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL9720123 0.94 ALDH1A1 (0.53) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL30764112 0.94 ALDH1A1 (0.53) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL30764109 0.85 KMT2A (0.49) TSHRALDH1A1KMT2APTPN11CA2
SCHEMBL15698201 0.85 HTR6 (0.50) TSHRSMN1; SMN2ALDH1A1CASP6POLB
SCHEMBL2172519 0.81 ALDH1A1 (0.52) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL15862378 0.80 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL1502176 0.80 KMT2A (0.62) ALDH1A1TDP1CASP6POLBKMT2A
Triphenylphosphine Oxide SCHEMBL8328973 0.80 CA2 (0.52) TSHRSMN1; SMN2ALDH1A1TDP1CASP6

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-117736239-A Synthesis method of sulfonated bis (3-aminophenyl) phenylphosphine oxide 河北建新化工股份有限公司 2024-03-22 — — CN disclosed
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