SCHEMBL5212431

SCHEMBL5212431

CCOC(=O)CCCOc1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 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
SCHEMBL5209452 0.86 RAB9A (0.51) MAPTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL28060807 0.86 ALDH1A1 (0.51) MAPTKDM4EALDH1A1TDP1SMN1; SMN2
SCHEMBL18088093 0.85 MAPT (0.54) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL7970564 0.84 CYP19A1 (0.54) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL733055 0.84 CYP19A1 (0.53) MAPTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL730095 0.84 ALDH1A1 (0.54) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL27571908 0.83 CYP19A1 (0.56) ALDH1A1LMNARAB9A
SCHEMBL9097438 0.82 MEN1 (0.50) MAPTALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL10488388 0.81 MAPT (0.53) MAPTKDM4EALDH1A1TDP1POLB
SCHEMBL2839813 0.81 MAPT (0.55) MAPTKDM4EALDH1A1TDP1POLB

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 11 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
CN-1282243-A Pharmaceutical composition containing anilide derivative for antagonizing CCR5 TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN disclosed
CN-1282326-A Anilide derivative, process for producing the same, and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-31 CN 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-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF 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