SCHEMBL5208620

SCHEMBL5208620

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.54
MCL1 Q07820 1/20 0.40

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
SCHEMBL6755727 0.89 CA12 (0.46) CCR5
SCHEMBL7677996 0.88 CCR5 (0.43) CCR5
SCHEMBL3500297 0.86 MEN1 (0.45) CCR5
SCHEMBL3499773 0.86 CCR5 (0.53) CCR5MCL1
SCHEMBL5207318 0.86 CCR5 (0.43) CCR5
SCHEMBL7681686 0.86 CCR5 (0.43) CCR5
SCHEMBL5209293 0.86 CCR5 (0.52) CCR5
SCHEMBL5209462 0.86 CCR5 (0.44) CCR5
SCHEMBL5211587 0.85 CCR5 (0.42) CCR5
SCHEMBL5209297 0.85 PTGS2 (0.43) CCR5

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 15 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-6627651-B1 Exhibiting preventive and therapeutic effects against HIV infectious diseases wherein R1 is an optionally substituted five- or six-membered ring group; X1 is a free valency or the like; W is a divalent group and inhibitors of HIV (human TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US 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
EP-1182195-A1 CYCLIC COMPOUNDS AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
EP-1104416-A2 QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS Takeda Chemical Industries, Ltd. (JP) 2001-06-06 EP 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
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US 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