SCHEMBL9573024

SCHEMBL9573024

C[N+](C)(C)Cc1ccc(C(=O)Oc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 7/20 0.48
▸ ACR P10323 4/20 0.48
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KLK1 P06870 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ F2 P00734 2/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ TMPRSS2 O15393 1/20 0.39
▸ TMPRSS15 P98073 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 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
SCHEMBL15279259 0.83 MAPT (0.51) PRSS1ACRMAPTSMN1; SMN2KLK1
SCHEMBL29993865 0.83 MAPT (0.51) PRSS1ACRMAPTSMN1; SMN2KLK1
SCHEMBL13617227 0.82 MAPT (0.54) PRSS1ACRMAPTSMN1; SMN2KDM4E
SCHEMBL26359373 0.81 PRSS1 (0.46) PRSS1ACRMAPTSMN1; SMN2KLK1
SCHEMBL9726291 0.80 ACR (0.61) PRSS1ACRMAPTSMN1; SMN2KDM4E
SCHEMBL9726260 0.79 STS (0.57) PRSS1ACRMAPTSMN1; SMN2LMNA
SCHEMBL7183003 0.79 ACR (0.65) PRSS1ACRMAPTSMN1; SMN2KDM4E
SCHEMBL26359570 0.79 PRSS1 (0.45) PRSS1ACRMAPTSMN1; SMN2KLK1
SCHEMBL14567085 0.79 LMNA (0.59) PRSS1ACRMAPTSMN1; SMN2LMNA
SCHEMBL29993173 0.78 RARB (0.52) PRSS1ACRMAPTSMN1; SMN2TP53

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
EP-0540090-A2 Liquid cleaning compositions UNILEVER N.V. (NL) 1993-05-05 — — EP claimed
EP-0540090-A2 Liquid cleaning compositions UNILEVER N.V. (NL) 1993-05-05 — — EP disclosed
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