SCHEMBL5207245

SCHEMBL5207245

CC(C)(C)c1ccc(-c2ccc(/C=C/C(=O)O)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 5/20 0.47
RXRA P19793 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ESR1 P03372 1/20 0.41
CYP26B1 Q9NR63 3/20 0.39
CYP26A1 O43174 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 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
SCHEMBL5207252 1.00 MAPK1 (0.59) MAPK1KMT2ANPSR1RXRANR1H4
SCHEMBL5206802 0.83 KMT2A (0.51) MAPK1KMT2ANPSR1RXRAALDH1A1
SCHEMBL5206809 0.83 KMT2A (0.51) MAPK1KMT2ANPSR1RXRAALDH1A1
SCHEMBL11658442 0.81 KMT2A (0.51) MAPK1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL11658444 0.81 KMT2A (0.51) MAPK1KMT2ACYP1A2ALDH1A1HPGD
SCHEMBL11983053 0.80 APP (0.50) MAPK1KMT2ANPSR1RXRAALDH1A1
SCHEMBL3173924 0.80 KMT2A (0.47) MAPK1KMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL3173931 0.80 KMT2A (0.47) MAPK1KMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL3177335 0.80 IKBKB (0.49) MAPK1KMT2ANPSR1ESR1HCAR2
SCHEMBL3177327 0.80 IKBKB (0.49) MAPK1KMT2ANPSR1ESR1HCAR2

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 10 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
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