SCHEMBL5208066

SCHEMBL5208066

Cc1ccc(S(=O)(=O)N2CCC(c3ccc(CCCCC(=O)O)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP5 P45974 9/20 0.61
HDAC6 Q9UBN7 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
TP53 P04637 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL27519854 0.89 USP5 (0.55) USP5HDAC6ALDH1A1LMNAGAA
SCHEMBL294854 0.77 USP5 (0.62) USP5ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5208476 0.77 SMN1; SMN2 (0.76) USP5HDAC6MEN1KMT2AALDH1A1
SCHEMBL25175598 0.75 FFAR4 (0.64) HDAC6SMN1; SMN2FFAR4
SCHEMBL15215001 0.74 ALDH1A1 (0.66) USP5HDAC6MEN1KMT2AALDH1A1
SCHEMBL1066202 0.74 MAPT (0.66) HDAC6KMT2AALDH1A1SMN1; SMN2
SCHEMBL1139126 0.74 MAPT (0.66) HDAC6KMT2AALDH1A1SMN1; SMN2
SCHEMBL21509277 0.73 FFAR4 (0.65) HDAC6SMN1; SMN2FFAR4
SCHEMBL294302 0.73 THRB (0.65) USP5MEN1KMT2AALDH1A1LMNA
SCHEMBL5205162 0.73 USP5 (0.57) USP5MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed