SCHEMBL5209067

SCHEMBL5209067

O=C(O)/C=C/c1cccc(OSC(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 2/20 0.55
NPSR1 Q6W5P4 1/20 0.50
HDAC3 O15379 1/20 0.47
TNKS O95271 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
RHOA P61586 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
SCHEMBL29405976 0.82 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL1052398 0.82 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL30507875 0.82 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL1052400 0.82 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL5209596 0.81 TTR (0.51) KDM4EALDH1A1SMN1; SMN2ALOX5PTGS2
SCHEMBL6022919 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL6022915 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL1536624 0.77 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL1536621 0.77 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL80787 0.76 FOS (0.72) KDM4EALDH1A1SMN1; SMN2PKMFOS

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