SCHEMBL6827733

SCHEMBL6827733

CC(C)(C)OC(=O)NC[C@H](C(=O)NCCCCc1ccccc1)c1ccc(NS(=O)(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.47
PTPRB P23467 9/20 0.47
PTPN1 P18031 3/20 0.45
PTPN2 P17706 2/20 0.45
PTPRC P08575 1/20 0.45
PTPRG P23470 1/20 0.45
ACP1 P24666 1/20 0.45
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PTPRA P18433 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6830827 0.88 PTPRB (0.49) PTPRBPTPN1PTPN2KMT2ACA1
SCHEMBL6830844 0.88 PTPRB (0.49) PTPRBPTPN1PTPN2KMT2ACA1
SCHEMBL6832666 0.87 PTPRB (0.46) PTPRBCA1CA2
SCHEMBL6831629 0.87 PTPRB (0.46) PTPRBCA1CA2
SCHEMBL6831658 0.84 PTPRB (0.47) PTPRBPTPN1PTPN2CA1CA2
SCHEMBL6827725 0.83 PTPRB (0.46) PTPRBKMT2ACA1CA2
SCHEMBL6830381 0.83 ALDH1A1 (0.59) KDM4ASIGMAR1POLBCYP2D6CYP2C9
SCHEMBL6827716 0.83 PTPRB (0.46) PTPRBPTPN1PTPN2PTPRCPTPRG
SCHEMBL6831647 0.83 PTPRB (0.45) PTPRB
SCHEMBL6827827 0.83 PTPRB (0.45) PTPRB

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
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO claimed
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed