SCHEMBL5206947

SCHEMBL5206947

O=[N+]([O-])c1ccc(COC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
AKR1C3 P42330 1/20 0.42
EPHX1 P07099 3/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
KCNJ1 P48048 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11068614 0.96 KDM4E (0.49) IDO1KDM4EICAM1SELEAKR1C3
SCHEMBL7795558 0.80 ALDH1A1 (0.43) KDM4EICAM1SELEMAPTALDH1A1
SCHEMBL2367956 0.80 MEN1 (0.56) KDM4EMAPTALDH1A1L3MBTL1HTT
SCHEMBL16197340 0.80 CYP1A2 (0.40) MAPTLMNAALDH1A1L3MBTL1HTT
SCHEMBL5078481 0.80 ALDH1A1 (0.40) MAPTLMNAALDH1A1L3MBTL1HTT
SCHEMBL20985435 0.80 ALDH1A1 (0.38) ICAM1SELEMAPTLMNAALDH1A1
SCHEMBL3078394 0.80 KMT2A (0.45) ICAM1SELEMAPTPOLBLMNA
SCHEMBL31469085 0.80 ALDH1A1 (0.44) IDO1KDM4EEPHX1MAPTALDH1A1
SCHEMBL4317051 0.79 ICAM1 (0.45) IDO1ICAM1SELEALDH1A1L3MBTL1
SCHEMBL31469084 0.79 MEN1 (0.44) KDM4EEPHX1MAPTPOLBALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438595-B Crystal form and preparation method thereof 大元制药株式会社 2021-05-18 CN disclosed
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
EP-1123295-B1 BICYCLIC NITROGEN HETEROCYCLES HOFFMANN LA ROCHE (CH) 2004-09-29 EP disclosed
CN-1150195-C Bicyclic nitrogen heterocycles - 2004-05-19 CN disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
CN-1324360-A Bicyclic nitrogen heterocycles HOFFMANN LA ROCHE (CH) 2001-11-28 CN disclosed
EP-1123295-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP 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
US-6150373-A AMINO-SUBSTITUTED DIHYDROPYRIMIDO(4,5-D)PYRIMIDINONE DERIVATIVES; INHIBITORS OF THE T-CELL TYROSINE KINASE P56LCK; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY/-CARCINOGENIC AGENTS; BRONCHOPULMONARY, DERMATOLOGICAL AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-11-21 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
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US disclosed
WO-2000024744-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed
WO-2000010965-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-02 WO 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