SCHEMBL6330118

SCHEMBL6330118

O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)O)c(C=Cc3ccccc3)c2C=Cc2ccccc2)cc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.34
DUSP22 Q9NRW4 1/20 0.33
NFE2L2 Q16236 1/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32

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
SCHEMBL4931546 0.99 TSHR (0.42) CYP2D6TSHRSMN1; SMN2POLBPTPN1
SCHEMBL15534783 0.91 PTPN1 (0.43) CYP2D6TSHRSMN1; SMN2PTPN1PTPN6
SCHEMBL1539831 0.80 PTPN1 (0.43) CYP2D6TSHRSMN1; SMN2PTPN1PTPN6
SCHEMBL6330115 0.79 PTGS2 (0.35) CYP2D6PTPN1PTPN6PTGS2NFE2L2
SCHEMBL11741666 0.78 TSHR (0.60) CYP2D6TSHRSMN1; SMN2POLBPTPN1
SCHEMBL28377435 0.78 PTPN1 (0.44) CYP2D6SMN1; SMN2PTPN1PTPN6PTGS2
SCHEMBL29990836 0.78 PTPN1 (0.44) CYP2D6SMN1; SMN2PTPN1PTPN6PTGS2
SCHEMBL28400808 0.77 TSHR (0.40) CYP2D6TSHRSMN1; SMN2POLBPTPN1
SCHEMBL1170845 0.77 MAOA (0.44) SMN1; SMN2PTPN1PTPN6PTGS2HDAC1
SCHEMBL30835513 0.77 PTPN1 (0.40) TSHRPTPN1PTPN6PTGS2NFE2L2

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
US-20050137117-A1 Composition containing an optical brightener and a semi-crystalline polymer L'OREAL (FR) 2005-06-23 US claimed
US-20050137117-A1 Composition containing an optical brightener and a semi-crystalline polymer L'OREAL (FR) 2005-06-23 US disclosed