SCHEMBL13617227

SCHEMBL13617227

C[N+](C)(C)Cc1ccc(C(=O)Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PARP10 Q53GL7 1/20 0.50
▸ TMPRSS15 P98073 2/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ ACR P10323 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NSD2 O96028 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL5706102 0.83 RAB9A (0.57) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL9573024 0.82 PRSS1 (0.48) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL70034 0.80 PARP10 (0.70) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL26038913 0.80 PARP10 (0.56) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL5081701 0.80 PARP10 (0.56) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL3771392 0.79 KMT2A (0.56) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
Iodide SCHEMBL9834742 0.79 KMT2A (0.64) MAPTSMN1; SMN2PRSS1ACRALDH1A1
SCHEMBL27650063 0.78 PRSS1 (0.63) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL8983809 0.78 CES2 (0.59) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1
SCHEMBL677886 0.78 PARP10 (0.54) MAPTSMN1; SMN2PARP10TMPRSS15PRSS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615524-B2 Multicompartments containing laundering additives; fabric softener THE PROCTER & GAMBLE CO. (US) 2009-11-10 — — US disclosed
US-20080113893-A1 Process for preparing detergent tablet ROWLAND BARRY 2008-05-15 — — US disclosed
US-7351683-B2 Laundry additive sachet THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 — — US disclosed
US-7320955-B2 Compositions comprising complexes of cyclodextrin and at least one laundry treatment active THE PROCTER & GAMBLE COMPANY (US) 2008-01-22 — — US disclosed
US-7304023-B2 Detergent product THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 — — US disclosed
US-7229955-B2 Detergent product THE PROCTER & GAMBLE COMPANY (US) 2007-06-12 — — US disclosed
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