SCHEMBL5208768

SCHEMBL5208768

C=C(C(=O)O)c1cccc(-c2ccc(C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.41
CTRC Q99895 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
ECE1 P42892 1/20 0.40
HSD17B14 Q9BPX1 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
KAT6A Q92794 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALPL P05186 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL30614607 0.83 SMN1; SMN2 (0.56) CTSASMN1; SMN2ALDH1A1CTRCSCN10A
SCHEMBL244468 0.83 SMN1; SMN2 (0.56) CTSASMN1; SMN2ALDH1A1CTRCSCN10A
SCHEMBL17354389 0.80 CTSA (0.48) CTSASMN1; SMN2ALDH1A1CTRCSCN10A
SCHEMBL15849592 0.76 CTSA (0.45) CTSASMN1; SMN2ALDH1A1CTRCSCN10A
SCHEMBL17049444 0.76 MCL1 (0.55) SMN1; SMN2ALDH1A1SCN10AECE1
SCHEMBL10507044 0.74 CYP1A2 (0.68) CTSASMN1; SMN2ALDH1A1SCN10AMAPT
SCHEMBL4901418 0.73 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1CTRCMAPTHPGD
SCHEMBL3421833 0.73 KMT2A (0.59) SMN1; SMN2ALDH1A1CTRCMAPTHPGD
SCHEMBL13186014 0.72 SCN9A (0.56)
SCHEMBL12339168 0.72 KMT2A (0.73) SMN1; SMN2ALDH1A1CTRCMAPTHPGD

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