SCHEMBL5205580

SCHEMBL5205580

Cc1ccc(-c2ccc(C=CC(=O)O)o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.73
ALDH1A1 P00352 10/20 0.73
KMT2A Q03164 7/20 0.73
MEN1 O00255 6/20 0.73
HPGD P15428 4/20 0.73
PKM P14618 3/20 0.73
KDM4E B2RXH2 9/20 0.72
LMNA P02545 3/20 0.72
HTT P42858 2/20 0.72
RECQL P46063 1/20 0.72
RARA P10276 1/20 0.58
NPC1 O15118 6/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
DDAH1 O94760 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 2/20 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
SCHEMBL5205567 1.00 MAPT (0.73) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4350254 0.85 ALDH1A1 (0.73) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL2554807 0.85 ALDH1A1 (0.73) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL18169186 0.84 ALDH1A1 (0.64) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL3500178 0.84 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL18169185 0.84 ALDH1A1 (0.64) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL3500182 0.84 ALDH1A1 (0.55) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7825291 0.83 RARA (0.57) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL7825290 0.83 RARA (0.57) MAPTALDH1A1KMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL7054671 0.83 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1HPGD

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-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